# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2014

data_K4U5O16Cl2
_audit_creation_date              2012-11-21
_audit_creation_method
;
  Olex2 1.1
  (compiled Nov  1 2011 20:42:30, GUI svn.r3906)
;
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_chemical_name_common             ?
_chemical_name_systematic
;
 ? 
;
_chemical_formula_moiety          '0.5(Cl4 K8 O32 U10)'
_chemical_formula_sum             'Cl2 K4 O16 U5'
_chemical_formula_weight          1673.45
_chemical_melting_point           ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'K' 'K' 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'U' 'U' -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system       'monoclinic'
_space_group_IT_number            14
_space_group_name_H-M_alt         'P 1 21/n 1'
_space_group_name_Hall            '-P 2yn'
loop_
  _space_group_symop_id
  _space_group_symop_operation_xyz
 1 'x, y, z'
 2 '-x+1/2, y+1/2, -z+1/2'
 3 '-x, -y, -z'
 4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                    9.9574(4)
_cell_length_b                    6.9766(3)
_cell_length_c                    14.3920(6)
_cell_angle_alpha                 90.00
_cell_angle_beta                  105.7690(10)
_cell_angle_gamma                 90.00
_cell_volume                      962.17(7)
_cell_formula_units_Z             2
_cell_measurement_reflns_used     6952
_cell_measurement_temperature     296(2)
_cell_measurement_theta_max       36.129
_cell_measurement_theta_min       2.895
_exptl_absorpt_coefficient_mu     43.148
_exptl_absorpt_correction_T_max   1
_exptl_absorpt_correction_T_min   0.139428
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_process_details    'SADABS Version 2.05 (Bruker, 2001)'
_exptl_crystal_colour             orange
_exptl_crystal_colour_primary     orange
_exptl_crystal_density_diffrn     5.776
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_description        bar
_exptl_crystal_F_000              1396
_exptl_crystal_size_max           0.14
_exptl_crystal_size_mid           0.08
_exptl_crystal_size_min           0.04
_exptl_special_details
;
 The data collection nominally covered a full sphere of reciprocal space by
 a combination of 8 sets of ω scans each set at different φ and/or
 2θ angles, followed by one φ scan, with each scan (10 s exposure) covering
 -0.300° degrees. The crystal to detector distance was 4.954 cm.
;
_diffrn_reflns_av_R_equivalents   0.0569
_diffrn_reflns_av_unetI/netI      0.0377
_diffrn_reflns_limit_h_max        14
_diffrn_reflns_limit_h_min        -16
_diffrn_reflns_limit_k_max        11
_diffrn_reflns_limit_k_min        -11
_diffrn_reflns_limit_l_max        23
_diffrn_reflns_limit_l_min        -23
_diffrn_reflns_number             30949
_diffrn_reflns_theta_full         35.23
_diffrn_reflns_theta_max          35.23
_diffrn_reflns_theta_min          2.23
_diffrn_ambient_temperature       296(2)
_diffrn_detector_area_resol_mean  ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type   'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method        'omega and phi scans'
_diffrn_radiation_monochromator   graphite
_diffrn_radiation_type            MoK\a
_diffrn_radiation_wavelength      0.71073
_diffrn_source                    'sealed tube'
_diffrn_source_current            37.0
_diffrn_source_power              1.739
_diffrn_source_target             Mo
_diffrn_source_voltage            47.0
_diffrn_standards_decay_%         ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_number          ?
_reflns_number_gt                 3703
_reflns_number_total              4308
_reflns_threshold_expression      >2sigma(I)
_computing_cell_refinement        'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_data_collection        'SMART Version 5.625 (Bruker, 2001)'
_computing_data_reduction         'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement   'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_refine_diff_density_max          2.759
_refine_diff_density_min          -2.218
_refine_diff_density_rms          0.374
_refine_ls_extinction_coef        ?
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.060
_refine_ls_hydrogen_treatment     ?
_refine_ls_matrix_type            full
_refine_ls_number_parameters      124
_refine_ls_number_reflns          4308
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0383
_refine_ls_R_factor_gt            0.0292
_refine_ls_restrained_S_all       1.060
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0263P)²+0.6790P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.0586
_refine_ls_wR_factor_ref          0.0613
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_atom_sites_solution_hydrogens    ?
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_symmetry_multiplicity
  _atom_site_calc_flag
  _atom_site_refinement_flags
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 U1 U 0.788161(19) 0.48472(2) 0.221604(13) 0.01160(5) Uani 1 1 d . . .
 U2 U 0.597906(19) 0.46768(2) 0.404088(13) 0.01180(5) Uani 1 1 d . . .
 U3 U 0.5000 0.0000 0.5000 0.01226(6) Uani 1 2 d S . .
 K1 K 0.30961(14) 0.1366(2) 0.19752(10) 0.0265(3) Uani 1 1 d . . .
 K2 K 0.00982(15) 0.26481(17) 0.48101(10) 0.0271(3) Uani 1 1 d . . .
 Cl1 Cl 0.23197(16) 0.0353(2) 0.40027(12) 0.0296(3) Uani 1 1 d . . .
 O1 O 0.6312(4) 0.4743(5) 0.1221(3) 0.0211(8) Uani 1 1 d . . .
 O2 O 0.9479(4) 0.5010(5) 0.3200(3) 0.0189(8) Uani 1 1 d . . .
 O3 O 0.4283(4) 0.4394(6) 0.3194(3) 0.0202(8) Uani 1 1 d . . .
 O4 O 0.7630(4) 0.4790(6) 0.4979(3) 0.0215(8) Uani 1 1 d . . .
 O5 O 0.6707(4) 0.6733(5) 0.3140(3) 0.0172(7) Uani 1 1 d . . .
 O6 O 0.6991(4) 0.2978(5) 0.3148(3) 0.0189(8) Uani 1 1 d . . .
 O7 O 0.9432(4) 0.5440(5) 0.1117(3) 0.0198(8) Uani 1 1 d . . .
 O8 O 0.5075(4) 0.2979(5) 0.5196(3) 0.0158(7) Uani 1 1 d . . .


_geom_special_details
;
 U1 U1 3.70831(19) 2_645 ?
 U1 U1 3.70829(19) 2_655 ?
 U1 U2 3.6338(3) . ?
 U1 K1 3.9982(14) 2_655 ?
 U1 K2 4.0524(14) 2 ?
 U2 U2 3.8147(4) 3_666 ?
 U2 U3 3.7727(2) . ?
 U2 K1 4.0949(14) 2 ?
 U2 K1 4.2160(14) . ?
 U2 K2 4.1933(14) 1_655 ?
 U3 U2 3.7727(2) 3_656 ?
 U3 K1 4.3552(14) . ?
 U3 K1 4.3552(13) 3_656 ?
 U3 K1 4.3874(14) 2_545 ?
 U3 K1 4.3874(14) 4_666 ?
 K1 U1 3.9982(14) 2_645 ?
 K1 U2 4.0949(13) 2_545 ?
 K1 K1 4.1029(13) 2 ?
 K1 K1 4.1029(13) 2_545 ?
 K2 U1 4.0525(14) 2_545 ?
 K2 U1 4.0846(14) 1_455 ?
 K2 K2 3.748(2) 3_556 ?
 K2 K2 3.341(2) 3_566 ?

 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 U1 O1 1.812(4) . ?
 U1 O2 1.823(4) . ?
 U1 O5 2.390(3) . ?
 U1 O5 2.294(3) 2_645 ?
 U1 O6 2.258(4) 2_655 ?
 U1 O6 2.221(3) . ?
 U1 O7 2.527(4) . ?
 U2 O3 1.805(4) . ?
 U2 O4 1.823(4) . ?
 U2 O5 2.186(3) . ?
 U2 O6 2.185(3) . ?
 U2 O8 2.368(3) 3_666 ?
 U2 O8 2.407(3) . ?
 U3 Cl1 2.6761(16) 3_656 ?
 U3 Cl1 2.6761(16) . ?
 U3 O7 1.869(4) 4_566 ?
 U3 O7 1.869(4) 2_645 ?
 U3 O8 2.096(3) . ?
 U3 O8 2.096(3) 3_656 ?
 K1 Cl1 3.292(2) . ?
 K1 Cl1 3.094(2) 2 ?
 K1 O2 2.668(4) 2_645 ?
 K1 O3 2.693(4) 2_545 ?
 K1 O3 2.794(4) . ?
 K1 O4 2.898(4) 4_565 ?
 K1 O7 3.216(4) 2_645 ?
 K1 O8 3.410(4) 4_565 ?
 K2 Cl1 3.194(2) . ?
 K2 O1 2.652(4) 4_566 ?
 K2 O1 2.673(4) 2_545 ?
 K2 O2 2.773(4) 1_455 ?
 K2 O2 3.224(4) 3_666 ?
 K2 O4 2.942(4) 1_455 ?
 K2 O4 2.834(4) 3_666 ?
 K2 O6 3.365(5) 1_455 ?
 Cl1 K1 3.094(2) 2_545 ?
 O1 K2 2.652(4) 4_665 ?
 O1 K2 2.673(4) 2 ?
 O2 K1 2.668(4) 2_655 ?
 O2 K2 3.224(4) 3_666 ?
 O2 K2 2.773(4) 1_655 ?
 O3 K1 2.693(4) 2 ?
 O4 K1 2.898(4) 4_666 ?
 O4 K2 2.834(4) 3_666 ?
 O4 K2 2.942(4) 1_655 ?
 O5 U1 2.294(3) 2_655 ?
 O6 U1 2.258(4) 2_645 ?
 O6 K2 3.365(4) 1_655 ?
 O7 U3 1.869(4) 2_655 ?
 O7 K1 3.216(4) 2_655 ?
 O8 U2 2.368(3) 3_666 ?
 O8 K1 3.410(4) 4_666 ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 U1 U1 U1 140.330(11) 2_655 2_645 ?
 U1 U1 K1 115.74(2) 2_645 2_655 ?
 U1 U1 K1 86.31(2) 2_655 2_655 ?
 U1 U1 K2 117.28(2) 2_645 2 ?
 U1 U1 K2 63.331(18) 2_655 2 ?
 U2 U1 U1 68.384(6) . 2_645 ?
 U2 U1 U1 72.130(7) . 2_655 ?
 U2 U1 K1 118.427(19) . 2_655 ?
 U2 U1 K2 96.44(2) . 2 ?
 K1 U1 K2 124.15(3) 2_655 2 ?
 O1 U1 U1 91.57(12) . 2_655 ?
 O1 U1 U1 87.26(13) . 2_645 ?
 O1 U1 U2 93.60(14) . . ?
 O1 U1 K1 145.23(14) . 2_655 ?
 O1 U1 K2 31.22(12) . 2 ?
 O1 U1 O2 178.31(18) . . ?
 O1 U1 O5 87.33(16) . 2_645 ?
 O1 U1 O5 90.83(16) . . ?
 O1 U1 O6 93.08(17) . . ?
 O1 U1 O6 86.90(16) . 2_655 ?
 O1 U1 O7 93.11(17) . . ?
 O2 U1 U1 94.32(11) . 2_645 ?
 O2 U1 U1 87.59(11) . 2_655 ?
 O2 U1 U2 87.53(13) . . ?
 O2 U1 K1 33.26(13) . 2_655 ?
 O2 U1 K2 147.39(11) . 2 ?
 O2 U1 O5 93.54(15) . 2_645 ?
 O2 U1 O5 89.37(16) . . ?
 O2 U1 O6 91.59(15) . 2_655 ?
 O2 U1 O6 88.56(16) . . ?
 O2 U1 O7 85.60(16) . . ?
 O5 U1 U1 178.47(9) 2_645 2_655 ?
 O5 U1 U1 38.57(9) 2_645 2_645 ?
 O5 U1 U1 36.76(8) . 2_655 ?
 O5 U1 U1 103.58(8) . 2_645 ?
 O5 U1 U2 35.50(8) . . ?
 O5 U1 U2 106.87(9) 2_645 . ?
 O5 U1 K1 107.15(9) . 2_655 ?
 O5 U1 K1 95.20(10) 2_645 2_655 ?
 O5 U1 K2 76.21(9) . 2 ?
 O5 U1 K2 115.85(10) 2_645 2 ?
 O5 U1 O5 142.15(10) 2_645 . ?
 O5 U1 O7 80.71(12) 2_645 . ?
 O5 U1 O7 137.12(12) . . ?
 O6 U1 U1 34.43(9) . 2_645 ?
 O6 U1 U1 33.80(8) 2_655 2_655 ?
 O6 U1 U1 106.25(9) . 2_655 ?
 O6 U1 U1 171.49(10) 2_655 2_645 ?
 O6 U1 U2 34.12(9) . . ?
 O6 U1 U2 105.83(8) 2_655 . ?
 O6 U1 K1 72.31(11) 2_655 2_655 ?
 O6 U1 K1 120.84(11) . 2_655 ?
 O6 U1 K2 112.54(11) . 2 ?
 O6 U1 K2 56.14(11) 2_655 2 ?
 O6 U1 O5 69.59(12) . . ?
 O6 U1 O5 70.34(12) 2_655 . ?
 O6 U1 O5 147.08(13) 2_655 2_645 ?
 O6 U1 O5 72.76(12) . 2_645 ?
 O6 U1 O6 139.92(10) . 2_655 ?
 O6 U1 O7 152.42(13) . . ?
 O6 U1 O7 67.29(12) 2_655 . ?
 O7 U1 U1 100.42(9) . 2_655 ?
 O7 U1 U1 119.25(9) . 2_645 ?
 O7 U1 U2 170.09(9) . . ?
 O7 U1 K1 53.46(10) . 2_655 ?
 O7 U1 K2 85.59(10) . 2 ?
 U1 U2 U2 171.325(8) . 3_666 ?
 U1 U2 U3 122.008(5) . . ?
 U1 U2 K1 113.149(19) . 2 ?
 U1 U2 K1 84.094(18) . . ?
 U1 U2 K2 62.43(2) . 1_655 ?
 U2 U2 K1 64.702(19) 3_666 2 ?
 U2 U2 K1 101.016(19) 3_666 . ?
 U2 U2 K2 120.30(2) 3_666 1_655 ?
 U3 U2 U2 66.655(5) . 3_666 ?
 U3 U2 K1 92.87(2) . 2 ?
 U3 U2 K1 65.799(19) . . ?
 U3 U2 K2 86.730(18) . 1_655 ?
 K1 U2 K1 59.143(17) 2 . ?
 K1 U2 K2 174.08(3) 2 1_655 ?
 K2 U2 K1 115.53(3) 1_655 . ?
 O3 U2 U1 95.23(12) . . ?
 O3 U2 U2 86.19(12) . 3_666 ?
 O3 U2 U3 82.26(12) . . ?
 O3 U2 K1 29.67(13) . . ?
 O3 U2 K1 30.21(13) . 2 ?
 O3 U2 K2 144.08(13) . 1_655 ?
 O3 U2 O4 174.03(18) . . ?
 O3 U2 O5 94.09(16) . . ?
 O3 U2 O6 92.28(16) . . ?
 O3 U2 O8 86.42(16) . 3_666 ?
 O3 U2 O8 87.48(15) . . ?
 O4 U2 U1 89.51(13) . . ?
 O4 U2 U2 89.68(13) . 3_666 ?
 O4 U2 U3 92.14(12) . . ?
 O4 U2 K1 149.14(13) . 2 ?
 O4 U2 K1 148.21(12) . . ?
 O4 U2 K2 36.76(13) . 1_655 ?
 O4 U2 O5 91.88(17) . . ?
 O4 U2 O6 89.53(17) . . ?
 O4 U2 O8 86.63(16) . . ?
 O4 U2 O8 92.91(16) . 3_666 ?
 O5 U2 U1 39.43(9) . . ?
 O5 U2 U2 131.99(9) . 3_666 ?
 O5 U2 U3 160.95(9) . . ?
 O5 U2 K1 93.19(10) . 2 ?
 O5 U2 K1 102.33(10) . . ?
 O5 U2 K2 85.40(10) . 1_655 ?
 O5 U2 O8 168.44(12) . . ?
 O5 U2 O8 94.70(13) . 3_666 ?
 O6 U2 U1 34.77(9) . . ?
 O6 U2 U2 153.85(9) . 3_666 ?
 O6 U2 U3 87.26(9) . . ?
 O6 U2 K1 121.11(11) . 2 ?
 O6 U2 K1 67.83(11) . . ?
 O6 U2 K2 52.98(11) . 1_655 ?
 O6 U2 O5 74.16(13) . . ?
 O6 U2 O8 117.26(13) . . ?
 O6 U2 O8 168.68(12) . 3_666 ?
 O8 U2 U1 134.13(8) 3_666 . ?
 O8 U2 U1 151.87(8) . . ?
 O8 U2 U2 37.32(8) 3_666 3_666 ?
 O8 U2 U2 36.62(8) . 3_666 ?
 O8 U2 U3 103.68(8) 3_666 . ?
 O8 U2 U3 30.59(8) . . ?
 O8 U2 K1 56.34(10) 3_666 2 ?
 O8 U2 K1 113.74(10) 3_666 . ?
 O8 U2 K1 84.65(9) . . ?
 O8 U2 K1 82.41(9) . 2 ?
 O8 U2 K2 100.03(9) . 1_655 ?
 O8 U2 K2 129.47(10) 3_666 1_655 ?
 O8 U2 O8 73.94(13) 3_666 . ?
 U2 U3 U2 180.0 . 3_656 ?
 U2 U3 K1 117.997(18) 3_656 . ?
 U2 U3 K1 62.003(18) . . ?
 U2 U3 K1 117.944(18) 3_656 4_666 ?
 U2 U3 K1 62.056(18) . 4_666 ?
 U2 U3 K1 117.996(18) . 3_656 ?
 U2 U3 K1 62.003(18) 3_656 3_656 ?
 U2 U3 K1 117.944(18) . 2_545 ?
 U2 U3 K1 62.057(18) 3_656 2_545 ?
 K1 U3 K1 124.024(16) . 4_666 ?
 K1 U3 K1 124.024(16) 3_656 2_545 ?
 K1 U3 K1 55.976(16) . 2_545 ?
 K1 U3 K1 180.0 . 3_656 ?
 K1 U3 K1 180.0 2_545 4_666 ?
 K1 U3 K1 55.976(16) 3_656 4_666 ?
 Cl1 U3 U2 87.51(4) . 3_656 ?
 Cl1 U3 U2 92.49(4) 3_656 3_656 ?
 Cl1 U3 U2 87.51(4) 3_656 . ?
 Cl1 U3 U2 92.49(4) . . ?
 Cl1 U3 K1 44.18(4) 3_656 4_666 ?
 Cl1 U3 K1 44.18(4) . 2_545 ?
 Cl1 U3 K1 131.00(4) . 3_656 ?
 Cl1 U3 K1 49.00(4) 3_656 3_656 ?
 Cl1 U3 K1 135.82(4) . 4_666 ?
 Cl1 U3 K1 135.82(4) 3_656 2_545 ?
 Cl1 U3 K1 49.00(4) . . ?
 Cl1 U3 K1 131.00(4) 3_656 . ?
 Cl1 U3 Cl1 180.0 3_656 . ?
 O7 U3 U2 128.71(12) 4_566 . ?
 O7 U3 U2 51.29(12) 2_645 . ?
 O7 U3 U2 128.71(12) 2_645 3_656 ?
 O7 U3 U2 51.29(12) 4_566 3_656 ?
 O7 U3 K1 138.12(14) 4_566 . ?
 O7 U3 K1 97.99(13) 2_645 4_666 ?
 O7 U3 K1 82.01(13) 4_566 4_666 ?
 O7 U3 K1 41.88(13) 2_645 . ?
 O7 U3 K1 97.99(13) 4_566 2_545 ?
 O7 U3 K1 138.12(13) 2_645 3_656 ?
 O7 U3 K1 82.01(13) 2_645 2_545 ?
 O7 U3 K1 41.88(14) 4_566 3_656 ?
 O7 U3 Cl1 89.18(14) 2_645 3_656 ?
 O7 U3 Cl1 90.82(14) 4_566 3_656 ?
 O7 U3 Cl1 89.18(14) 4_566 . ?
 O7 U3 Cl1 90.82(14) 2_645 . ?
 O7 U3 O7 180.000(1) 4_566 2_645 ?
 O7 U3 O8 93.15(15) 4_566 . ?
 O7 U3 O8 86.85(15) 2_645 . ?
 O7 U3 O8 86.85(15) 4_566 3_656 ?
 O7 U3 O8 93.15(15) 2_645 3_656 ?
 O8 U3 U2 144.25(9) 3_656 . ?
 O8 U3 U2 144.25(9) . 3_656 ?
 O8 U3 U2 35.75(9) 3_656 3_656 ?
 O8 U3 U2 35.75(9) . . ?
 O8 U3 K1 84.70(10) . . ?
 O8 U3 K1 84.70(10) 3_656 3_656 ?
 O8 U3 K1 95.30(10) 3_656 . ?
 O8 U3 K1 130.79(11) . 2_545 ?
 O8 U3 K1 130.79(11) 3_656 4_666 ?
 O8 U3 K1 49.21(11) . 4_666 ?
 O8 U3 K1 95.30(10) . 3_656 ?
 O8 U3 K1 49.21(11) 3_656 2_545 ?
 O8 U3 Cl1 88.56(11) 3_656 3_656 ?
 O8 U3 Cl1 91.44(11) . 3_656 ?
 O8 U3 Cl1 91.44(11) 3_656 . ?
 O8 U3 Cl1 88.56(11) . . ?
 O8 U3 O8 180.0(2) 3_656 . ?
 U1 K1 U2 147.64(4) 2_645 2_545 ?
 U1 K1 K1 119.04(5) 2_645 2 ?
 U1 K1 K1 91.98(4) 2_645 2_545 ?
 U2 K1 K1 61.90(3) 2_545 2_545 ?
 U2 K1 K1 91.06(4) 2_545 2 ?
 K1 K1 K1 116.47(6) 2 2_545 ?
 Cl1 K1 U1 98.22(4) . 2_645 ?
 Cl1 K1 U1 111.74(5) 2 2_645 ?
 Cl1 K1 U2 95.69(4) 2 2_545 ?
 Cl1 K1 U2 78.82(4) . 2_545 ?
 Cl1 K1 K1 72.25(5) . 2 ?
 Cl1 K1 K1 52.18(4) 2 2 ?
 Cl1 K1 K1 47.93(4) . 2_545 ?
 Cl1 K1 K1 156.28(7) 2 2_545 ?
 Cl1 K1 Cl1 124.17(6) 2 . ?
 Cl1 K1 O7 123.09(9) 2 2_645 ?
 Cl1 K1 O8 108.82(7) . 4_565 ?
 Cl1 K1 O8 63.66(7) 2 4_565 ?
 O2 K1 U1 22.01(9) 2_645 2_645 ?
 O2 K1 U2 134.31(9) 2_645 2_545 ?
 O2 K1 K1 95.34(9) 2_645 2_545 ?
 O2 K1 K1 134.11(10) 2_645 2 ?
 O2 K1 Cl1 106.76(10) 2_645 2 ?
 O2 K1 Cl1 116.37(10) 2_645 . ?
 O2 K1 O3 95.05(12) 2_645 . ?
 O2 K1 O3 127.36(12) 2_645 2_545 ?
 O2 K1 O4 73.31(13) 2_645 4_565 ?
 O2 K1 O7 60.47(11) 2_645 2_645 ?
 O2 K1 O8 127.80(12) 2_645 4_565 ?
 O3 K1 U1 132.69(10) 2_545 2_645 ?
 O3 K1 U1 78.36(9) . 2_645 ?
 O3 K1 U2 19.71(9) 2_545 2_545 ?
 O3 K1 U2 130.61(9) . 2_545 ?
 O3 K1 K1 42.56(9) 2_545 2_545 ?
 O3 K1 K1 121.81(10) . 2_545 ?
 O3 K1 K1 40.68(8) . 2 ?
 O3 K1 K1 97.59(10) 2_545 2 ?
 O3 K1 Cl1 114.36(10) 2_545 2 ?
 O3 K1 Cl1 63.74(9) 2_545 . ?
 O3 K1 Cl1 65.63(9) . 2 ?
 O3 K1 Cl1 76.55(9) . . ?
 O3 K1 O3 130.89(8) 2_545 . ?
 O3 K1 O4 139.39(12) . 4_565 ?
 O3 K1 O4 82.43(12) 2_545 4_565 ?
 O3 K1 O7 61.38(11) . 2_645 ?
 O3 K1 O7 115.14(12) 2_545 2_645 ?
 O3 K1 O8 120.42(11) . 4_565 ?
 O3 K1 O8 54.94(10) 2_545 4_565 ?
 O4 K1 U1 95.32(9) 4_565 2_645 ?
 O4 K1 U2 71.92(9) 4_565 2_545 ?
 O4 K1 K1 128.12(10) 4_565 2 ?
 O4 K1 K1 98.27(9) 4_565 2_545 ?
 O4 K1 Cl1 80.43(9) 4_565 2 ?
 O4 K1 Cl1 143.72(10) 4_565 . ?
 O4 K1 O7 132.05(11) 4_565 2_645 ?
 O4 K1 O8 54.68(10) 4_565 4_565 ?
 O7 K1 U1 39.15(7) 2_645 2_645 ?
 O7 K1 U2 134.53(8) 2_645 2_545 ?
 O7 K1 K1 75.26(8) 2_645 2_545 ?
 O7 K1 K1 95.02(8) 2_645 2 ?
 O7 K1 Cl1 60.63(7) 2_645 . ?
 O7 K1 O8 169.22(10) 2_645 4_565 ?
 O8 K1 U1 149.73(7) 4_565 2_645 ?
 O8 K1 U2 35.31(6) 4_565 2_545 ?
 O8 K1 K1 96.07(7) 4_565 2_545 ?
 O8 K1 K1 83.00(7) 4_565 2 ?
 U1 K2 U1 54.222(18) 2_545 1_455 ?
 K2 K2 U1 121.83(6) 3_566 2_545 ?
 K2 K2 U1 64.70(4) 3_556 2_545 ?
 K2 K2 U1 74.90(4) 3_566 1_455 ?
 K2 K2 U1 117.84(5) 3_556 1_455 ?
 K2 K2 K2 159.50(9) 3_566 3_556 ?
 K2 K2 O6 88.04(8) 3_566 1_455 ?
 Cl1 K2 U1 96.40(5) . 1_455 ?
 Cl1 K2 U1 86.59(4) . 2_545 ?
 Cl1 K2 K2 68.14(5) . 3_556 ?
 Cl1 K2 K2 128.97(7) . 3_566 ?
 Cl1 K2 O2 129.87(9) . 3_666 ?
 Cl1 K2 O6 111.69(8) . 1_455 ?
 O1 K2 U1 109.86(9) 4_566 2_545 ?
 O1 K2 U1 20.56(9) 2_545 2_545 ?
 O1 K2 U1 72.88(9) 2_545 1_455 ?
 O1 K2 U1 163.08(10) 4_566 1_455 ?
 O1 K2 K2 45.50(9) 4_566 3_556 ?
 O1 K2 K2 142.19(11) 2_545 3_566 ?
 O1 K2 K2 45.04(9) 2_545 3_556 ?
 O1 K2 K2 121.83(11) 4_566 3_566 ?
 O1 K2 Cl1 74.30(10) 2_545 . ?
 O1 K2 Cl1 75.32(10) 4_566 . ?
 O1 K2 O1 90.54(13) 4_566 2_545 ?
 O1 K2 O2 143.05(13) 2_545 3_666 ?
 O1 K2 O2 73.52(12) 4_566 3_666 ?
 O1 K2 O2 164.85(14) 4_566 1_455 ?
 O1 K2 O2 91.30(13) 2_545 1_455 ?
 O1 K2 O4 118.26(13) 4_566 1_455 ?
 O1 K2 O4 96.10(13) 2_545 1_455 ?
 O1 K2 O4 97.48(13) 4_566 3_666 ?
 O1 K2 O4 145.20(13) 2_545 3_666 ?
 O1 K2 O6 54.16(11) 2_545 1_455 ?
 O1 K2 O6 136.62(12) 4_566 1_455 ?
 O2 K2 U1 74.47(9) 1_455 2_545 ?
 O2 K2 U1 121.96(8) 3_666 1_455 ?
 O2 K2 U1 140.97(9) 3_666 2_545 ?
 O2 K2 U1 21.69(9) 1_455 1_455 ?
 O2 K2 K2 134.37(10) 1_455 3_556 ?
 O2 K2 K2 62.84(9) 1_455 3_566 ?
 O2 K2 K2 49.93(7) 3_666 3_566 ?
 O2 K2 K2 111.68(9) 3_666 3_556 ?
 O2 K2 Cl1 90.72(10) 1_455 . ?
 O2 K2 O2 112.76(10) 1_455 3_666 ?
 O2 K2 O4 72.81(13) 1_455 3_666 ?
 O2 K2 O4 76.47(12) 1_455 1_455 ?
 O2 K2 O6 54.05(11) 1_455 1_455 ?
 O2 K2 O6 118.01(10) 3_666 1_455 ?
 O4 K2 U1 142.03(10) 3_666 2_545 ?
 O4 K2 U1 80.77(9) 1_455 2_545 ?
 O4 K2 U1 94.50(9) 3_666 1_455 ?
 O4 K2 U1 68.20(9) 1_455 1_455 ?
 O4 K2 K2 132.67(11) 3_666 3_556 ?
 O4 K2 K2 56.19(9) 3_666 3_566 ?
 O4 K2 K2 114.26(10) 1_455 3_556 ?
 O4 K2 K2 53.15(9) 1_455 3_566 ?
 O4 K2 Cl1 75.14(9) 3_666 . ?
 O4 K2 Cl1 163.97(10) 1_455 . ?
 O4 K2 O2 71.18(11) 3_666 3_666 ?
 O4 K2 O2 65.14(12) 1_455 3_666 ?
 O4 K2 O4 109.34(11) 3_666 1_455 ?
 O4 K2 O6 125.89(11) 3_666 1_455 ?
 O4 K2 O6 52.89(10) 1_455 1_455 ?
 O6 K2 U1 32.93(6) 1_455 1_455 ?
 O6 K2 U1 33.86(6) 1_455 2_545 ?
 O6 K2 K2 95.55(8) 1_455 3_556 ?
 U3 Cl1 K1 98.74(5) . 2_545 ?
 U3 Cl1 K1 93.15(5) . . ?
 U3 Cl1 K2 122.63(6) . . ?
 K1 Cl1 K1 79.89(4) 2_545 . ?
 K1 Cl1 K2 126.57(6) 2_545 . ?
 K2 Cl1 K1 124.57(6) . . ?
 U1 O1 K2 138.3(2) . 4_665 ?
 U1 O1 K2 128.21(19) . 2 ?
 K2 O1 K2 89.46(13) 4_665 2 ?
 U1 O2 K1 124.73(19) . 2_655 ?
 U1 O2 K2 126.67(18) . 3_666 ?
 U1 O2 K2 124.11(18) . 1_655 ?
 K1 O2 K2 106.76(15) 2_655 1_655 ?
 K1 O2 K2 90.07(12) 2_655 3_666 ?
 K2 O2 K2 67.24(10) 1_655 3_666 ?
 U2 O3 K1 130.08(19) . 2 ?
 U2 O3 K1 131.69(19) . . ?
 K1 O3 K1 96.76(13) 2 . ?
 U2 O4 K1 126.24(19) . 4_666 ?
 U2 O4 K2 121.47(19) . 1_655 ?
 U2 O4 K2 129.77(19) . 3_666 ?
 K1 O4 K2 91.60(12) 4_666 1_655 ?
 K2 O4 K1 99.27(14) 3_666 4_666 ?
 K2 O4 K2 70.66(11) 3_666 1_655 ?
 U1 O5 U1 104.66(13) 2_655 . ?
 U2 O5 U1 105.07(14) . . ?
 U2 O5 U1 149.57(17) . 2_655 ?
 U1 O6 U1 111.77(14) . 2_645 ?
 U1 O6 K2 90.01(13) 2_645 1_655 ?
 U1 O6 K2 91.63(13) . 1_655 ?
 U2 O6 U1 136.50(16) . 2_645 ?
 U2 O6 U1 111.11(15) . . ?
 U2 O6 K2 95.80(13) . 1_655 ?
 U1 O7 K1 87.39(11) . 2_655 ?
 U3 O7 U1 153.0(2) 2_655 . ?
 U3 O7 K1 115.29(18) 2_655 2_655 ?
 U2 O8 U2 106.06(13) 3_666 . ?
 U2 O8 K1 91.92(11) . 4_666 ?
 U2 O8 K1 88.34(11) 3_666 4_666 ?
 U3 O8 U2 113.65(15) . . ?
 U3 O8 U2 138.00(16) . 3_666 ?
 U3 O8 K1 103.05(13) . 4_666 ?

#===END

data_Rb4U5O16Cl2
_audit_creation_date              2012-08-31
_audit_creation_method
;
  Olex2 1.2
  (compiled May  9 2012 12:37:22, GUI svn.r4230)
;
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_chemical_name_common             ?
_chemical_name_systematic
;
 ? 
;
_chemical_formula_moiety          'Cl2 O16 Rb4 U5'
_chemical_formula_sum             'Cl2 O16 Rb4 U5'
_chemical_formula_weight          1858.93
_chemical_melting_point           ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Rb' 'Rb' -0.9393 2.9676
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'U' 'U' -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system       'monoclinic'
_space_group_IT_number            14
_space_group_name_H-M_alt         'P 1 21/n 1'
_space_group_name_Hall            '-P 2yn'
loop_
  _space_group_symop_id
  _space_group_symop_operation_xyz
 1 'x, y, z'
 2 '-x+1/2, y+1/2, -z+1/2'
 3 '-x, -y, -z'
 4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                    10.2164(4)
_cell_length_b                    7.0160(3)
_cell_length_c                    14.4930(5)
_cell_angle_alpha                 90.00
_cell_angle_beta                  103.8290(10)
_cell_angle_gamma                 90.00
_cell_volume                      1008.72(7)
_cell_formula_units_Z             2
_cell_measurement_reflns_used     5186
_cell_measurement_temperature     296(2)
_cell_measurement_theta_max       36.38
_cell_measurement_theta_min       2.78
_exptl_absorpt_coefficient_mu     49.920
_exptl_absorpt_correction_T_max   1
_exptl_absorpt_correction_T_min   0.182071
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_process_details
;
SADABS v.2.10 (Bruker,2003) was used for absorption correction.
R(int) was 0.2408 before and 0.0527 after correction.
The Ratio of minimum to maximum transmission is 0.1821.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour             Orange
_exptl_crystal_colour_primary     Orange
_exptl_crystal_density_diffrn     6.120
_exptl_crystal_density_meas       .
_exptl_crystal_density_method     'not measured'
_exptl_crystal_description        plate
_exptl_crystal_F_000              1540
_exptl_crystal_size_max           0.12
_exptl_crystal_size_mid           0.08
_exptl_crystal_size_min           0.03
_exptl_special_details
;
 The data collection nominally covered a full sphere of reciprocal space by
 a combination of 8 sets of ω an φ scans each set at different φ and/or
 ω angles and each scan (15 s exposure) covering -0.300° degrees.
 The crystal to detector distance was 4.954 cm.
;
_diffrn_reflns_av_R_equivalents   0.0646
_diffrn_reflns_av_unetI/netI      0.0463
_diffrn_reflns_limit_h_max        16
_diffrn_reflns_limit_h_min        -15
_diffrn_reflns_limit_k_max        10
_diffrn_reflns_limit_k_min        -11
_diffrn_reflns_limit_l_max        22
_diffrn_reflns_limit_l_min        -23
_diffrn_reflns_number             30635
_diffrn_reflns_theta_full         35.23
_diffrn_reflns_theta_max          35.23
_diffrn_reflns_theta_min          2.21
_diffrn_ambient_temperature       296(2)
_diffrn_detector_area_resol_mean  ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type   'CCD area detector'
_diffrn_measurement_method        'phi and omega scans'
_diffrn_radiation_monochromator   graphite
_diffrn_radiation_type            MoK\a
_diffrn_radiation_wavelength      0.71073
_diffrn_source                    'sealed tube'
_diffrn_source_current            38.0
_diffrn_source_power              1.786
_diffrn_source_target             Mo
_diffrn_source_voltage            47.0
_diffrn_standards_decay_%         ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_number          ?
_reflns_number_gt                 3705
_reflns_number_total              4505
_reflns_threshold_expression      >2sigma(I)
_computing_cell_refinement        'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_data_collection        'SMART Version 5.625 (Bruker, 2001)'
_computing_data_reduction         'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
SHELXS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max          3.682
_refine_diff_density_min          -1.933
_refine_diff_density_rms          0.462
_refine_ls_extinction_coef        ?
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.048
_refine_ls_hydrogen_treatment     ?
_refine_ls_matrix_type            full
_refine_ls_number_parameters      124
_refine_ls_number_reflns          4505
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0492
_refine_ls_R_factor_gt            0.0348
_refine_ls_restrained_S_all       1.048
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0303P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.0667
_refine_ls_wR_factor_ref          0.0709
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_atom_sites_solution_hydrogens    ?
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_symmetry_multiplicity
  _atom_site_calc_flag
  _atom_site_refinement_flags
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 U1 U 0.78769(2) 0.48665(3) 0.222718(16) 0.01190(5) Uani 1 1 d . . .
 U2 U 0.59880(2) 0.47296(3) 0.404470(15) 0.01228(5) Uani 1 1 d . . .
 U3 U 0.5000 0.0000 0.5000 0.01269(7) Uani 1 2 d S . .
 Rb1 Rb 0.30928(7) 0.13205(10) 0.20055(5) 0.02613(14) Uani 1 1 d . . .
 Rb2 Rb 0.00401(7) 0.26274(8) 0.48372(5) 0.02568(14) Uani 1 1 d . . .
 Cl1 Cl 0.23828(18) 0.0319(3) 0.40708(14) 0.0290(4) Uani 1 1 d . . .
 O1 O 0.6360(5) 0.4732(6) 0.1289(4) 0.0213(9) Uani 1 1 d . . .
 O2 O 0.9419(5) 0.5041(6) 0.3173(4) 0.0220(10) Uani 1 1 d . . .
 O3 O 0.4388(5) 0.4445(6) 0.3204(3) 0.0216(9) Uani 1 1 d . . .
 O4 O 0.7554(5) 0.4848(6) 0.4968(4) 0.0210(9) Uani 1 1 d . . .
 O5 O 0.6737(4) 0.6749(6) 0.3139(3) 0.0167(8) Uani 1 1 d . . .
 O6 O 0.7008(4) 0.2978(6) 0.3171(3) 0.0185(9) Uani 1 1 d . . .
 O7 O 0.9447(5) 0.5363(6) 0.1128(3) 0.0208(9) Uani 1 1 d . . .
 O8 O 0.5069(4) 0.2979(6) 0.5172(3) 0.0162(9) Uani 1 1 d . . .


_geom_special_details
;
 U1 U1 3.7169(2) 2_645 ?
 U1 U1 3.7169(2) 2_655 ?
 U1 U2 3.6197(3) . ?
 Rb2 U1 4.1620(7) 2_545 ?
 U1 Rb1 4.1282(7) 2_655 ?
 U1 Rb2 4.1620(7) 2 ?
 U2 U2 3.8157(4) 3_666 ?
 U2 U3 3.8229(2) . ?
 U2 Rb1 4.2321(7) 2 ?
 U2 Rb1 4.3618(7) . ?
 U2 Rb2 4.2848(7) 1_655 ?
 U3 U2 3.8229(2) 3_656 ?
 U3 Rb1 4.4100(7) 3_656 ?
 U3 Rb1 4.4100(7) . ?
 U3 Rb1 4.5504(7) 4_666 ?
 U3 Rb1 4.5504(7) 2_545 ?
 Rb1 U1 4.1282(7) 2_645 ?
 Rb1 Rb1 4.0815(7) 2_545 ?
 Rb1 Rb1 4.0815(7) 2 ?
 Rb1 Rb2 4.1673(9) 4_665 ?
 Rb2 Rb2 3.3663(12) 3_566 ?
 Rb2 Rb2 3.7202(12) 3_556 ?

 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 U1 O1 1.803(5) . ?
 U1 O2 1.828(5) . ?
 U1 O5 2.363(4) . ?
 U1 O5 2.307(4) 2_645 ?
 U1 O6 2.268(4) 2_655 ?
 U1 O6 2.235(4) . ?
 U1 O7 2.540(4) . ?
 U2 O3 1.801(5) . ?
 U2 O4 1.826(5) . ?
 U2 O5 2.189(4) . ?
 U2 O6 2.197(4) . ?
 U2 O8 2.372(4) 3_666 ?
 U2 O8 2.407(4) . ?
 U3 Cl1 2.7003(19) . ?
 U3 Cl1 2.7004(19) 3_656 ?
 U3 O7 1.871(4) 4_566 ?
 U3 O7 1.871(4) 2_645 ?
 U3 O8 2.104(4) 3_656 ?
 U3 O8 2.104(4) . ?
 Rb1 Cl1 3.319(2) . ?
 Rb1 Cl1 3.1900(19) 2 ?
 Rb1 O2 2.765(5) 2_645 ?
 Rb1 O3 2.807(5) 2_545 ?
 Rb1 O3 2.911(5) . ?
 Rb1 O4 2.987(5) 4_565 ?
 Rb1 O7 3.292(5) 2_645 ?
 Rb1 O8 3.594(5) 4_565 ?
 Rb2 Cl1 3.2949(18) . ?
 Rb2 Cl1 3.844(2) 3_556 ?
 Rb2 O1 2.762(5) 4_566 ?
 Rb2 O1 2.779(5) 2_545 ?
 Rb2 O2 2.891(5) 1_455 ?
 Rb2 O2 3.247(5) 3_666 ?
 Rb2 O4 3.024(5) 1_455 ?
 Rb2 O4 2.987(5) 3_666 ?
 Rb2 O6 3.451(5) 1_455 ?
 Cl1 Rb1 3.1900(19) 2_545 ?
 Cl1 Rb2 3.844(2) 3_556 ?
 O1 Rb2 2.762(5) 4_665 ?
 O1 Rb2 2.779(5) 2 ?
 O2 Rb1 2.765(5) 2_655 ?
 O2 Rb2 3.246(5) 3_666 ?
 O2 Rb2 2.891(5) 1_655 ?
 O3 Rb1 2.807(5) 2 ?
 O4 Rb1 2.987(5) 4_666 ?
 O4 Rb2 2.987(5) 3_666 ?
 O4 Rb2 3.023(5) 1_655 ?
 O5 U1 2.307(4) 2_655 ?
 O6 U1 2.268(4) 2_645 ?
 O6 Rb2 3.451(5) 1_655 ?
 O7 U3 1.871(4) 2_655 ?
 O7 Rb1 3.292(5) 2_655 ?
 O8 U2 2.372(4) 3_666 ?
 O8 Rb1 3.594(5) 4_666 ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 U1 U1 U1 141.397(12) 2_655 2_645 ?
 U1 U1 Rb1 114.830(12) 2_645 2_655 ?
 U1 U1 Rb1 87.334(12) 2_655 2_655 ?
 U1 U1 Rb2 116.297(12) 2_645 2 ?
 U1 U1 Rb2 64.185(10) 2_655 2 ?
 U2 U1 U1 72.340(8) . 2_655 ?
 U2 U1 U1 69.300(7) . 2_645 ?
 U2 U1 Rb1 118.779(11) . 2_655 ?
 U2 U1 Rb2 96.939(11) . 2 ?
 Rb1 U1 Rb2 125.123(14) 2_655 2 ?
 O1 U1 U1 85.79(14) . 2_645 ?
 O1 U1 U1 91.46(14) . 2_655 ?
 O1 U1 U2 92.05(16) . . ?
 O1 U1 Rb1 146.94(16) . 2_655 ?
 O1 U1 Rb2 31.10(14) . 2 ?
 O1 U1 O2 179.1(2) . . ?
 O1 U1 O5 90.08(18) . . ?
 O1 U1 O5 86.58(17) . 2_645 ?
 O1 U1 O6 92.02(19) . . ?
 O1 U1 O6 86.90(18) . 2_655 ?
 O1 U1 O7 95.3(2) . . ?
 O2 U1 U1 95.11(13) . 2_645 ?
 O2 U1 U1 87.86(13) . 2_655 ?
 O2 U1 U2 88.30(16) . . ?
 O2 U1 Rb1 32.45(15) . 2_655 ?
 O2 U1 Rb2 148.03(13) . 2 ?
 O2 U1 O5 89.73(18) . . ?
 O2 U1 O5 94.11(17) . 2_645 ?
 O2 U1 O6 88.74(19) . . ?
 O2 U1 O6 92.21(18) . 2_655 ?
 O2 U1 O7 84.28(19) . . ?
 O5 U1 U1 177.92(11) 2_645 2_655 ?
 O5 U1 U1 104.68(10) . 2_645 ?
 O5 U1 U1 37.79(10) 2_645 2_645 ?
 O5 U1 U1 36.74(10) . 2_655 ?
 O5 U1 U2 107.02(10) 2_645 . ?
 O5 U1 U2 35.70(10) . . ?
 O5 U1 Rb1 107.73(11) . 2_655 ?
 O5 U1 Rb1 94.69(11) 2_645 2_655 ?
 O5 U1 Rb2 77.18(11) . 2 ?
 O5 U1 Rb2 114.10(11) 2_645 2 ?
 O5 U1 O5 142.46(12) 2_645 . ?
 O5 U1 O7 79.47(14) 2_645 . ?
 O5 U1 O7 138.05(14) . . ?
 O6 U1 U1 34.10(10) 2_655 2_655 ?
 O6 U1 U1 107.24(10) . 2_655 ?
 O6 U1 U1 171.28(11) 2_655 2_645 ?
 O6 U1 U1 34.67(10) . 2_645 ?
 O6 U1 U2 106.26(10) 2_655 . ?
 O6 U1 U2 34.91(10) . . ?
 O6 U1 Rb1 119.86(12) . 2_655 ?
 O6 U1 Rb1 73.84(12) 2_655 2_655 ?
 O6 U1 Rb2 113.27(12) . 2 ?
 O6 U1 Rb2 56.00(12) 2_655 2 ?
 O6 U1 O5 72.17(14) . 2_645 ?
 O6 U1 O5 70.60(15) . . ?
 O6 U1 O5 70.56(14) 2_655 . ?
 O6 U1 O5 146.27(14) 2_655 2_645 ?
 O6 U1 O6 141.14(12) . 2_655 ?
 O6 U1 O7 68.25(14) 2_655 . ?
 O6 U1 O7 150.20(15) . . ?
 O7 U1 U1 101.42(10) . 2_655 ?
 O7 U1 U1 117.18(10) . 2_645 ?
 O7 U1 U2 170.52(11) . . ?
 O7 U1 Rb1 52.87(12) . 2_655 ?
 O7 U1 Rb2 86.36(12) . 2 ?
 U1 U2 U2 172.771(9) . 3_666 ?
 U1 U2 U3 121.295(6) . . ?
 U1 U2 Rb1 112.459(11) . 2 ?
 U1 U2 Rb1 85.101(10) . . ?
 U1 U2 Rb2 63.590(11) . 1_655 ?
 U2 U2 U3 65.934(6) 3_666 . ?
 U2 U2 Rb1 65.680(11) 3_666 2 ?
 U2 U2 Rb1 98.949(12) 3_666 . ?
 U2 U2 Rb2 118.983(13) 3_666 1_655 ?
 U3 U2 Rb1 64.815(10) . . ?
 U3 U2 Rb1 92.092(10) . 2 ?
 U3 U2 Rb2 85.754(10) . 1_655 ?
 Rb1 U2 Rb1 56.685(9) 2 . ?
 Rb1 U2 Rb2 173.123(14) 2 1_655 ?
 Rb2 U2 Rb1 116.624(14) 1_655 . ?
 O3 U2 U1 93.80(14) . . ?
 O3 U2 U2 87.12(14) . 3_666 ?
 O3 U2 U3 82.71(14) . . ?
 O3 U2 Rb1 28.61(14) . . ?
 O3 U2 Rb1 29.45(14) . 2 ?
 O3 U2 Rb2 143.68(14) . 1_655 ?
 O3 U2 O4 174.5(2) . . ?
 O3 U2 O5 93.27(18) . . ?
 O3 U2 O6 91.56(19) . . ?
 O3 U2 O8 87.44(18) . 3_666 ?
 O3 U2 O8 87.96(18) . . ?
 O4 U2 U1 90.31(16) . . ?
 O4 U2 U2 89.25(15) . 3_666 ?
 O4 U2 U3 92.02(14) . . ?
 O4 U2 Rb1 148.76(14) . . ?
 O4 U2 Rb1 150.12(15) . 2 ?
 O4 U2 Rb2 36.66(15) . 1_655 ?
 O4 U2 O5 92.24(19) . . ?
 O4 U2 O6 89.66(19) . . ?
 O4 U2 O8 86.65(19) . . ?
 O4 U2 O8 92.19(18) . 3_666 ?
 O5 U2 U1 39.04(10) . . ?
 O5 U2 U2 133.77(10) . 3_666 ?
 O5 U2 U3 159.88(10) . . ?
 O5 U2 Rb1 103.07(11) . . ?
 O5 U2 Rb1 93.96(12) . 2 ?
 O5 U2 Rb2 85.98(12) . 1_655 ?
 O5 U2 O6 74.63(16) . . ?
 O5 U2 O8 170.37(13) . . ?
 O5 U2 O8 96.46(14) . 3_666 ?
 O6 U2 U1 35.61(11) . . ?
 O6 U2 U2 151.60(11) . 3_666 ?
 O6 U2 U3 85.74(11) . . ?
 O6 U2 Rb1 120.16(13) . 2 ?
 O6 U2 Rb1 68.98(12) . . ?
 O6 U2 Rb2 53.20(13) . 1_655 ?
 O6 U2 O8 114.91(15) . . ?
 O6 U2 O8 170.97(14) . 3_666 ?
 O8 U2 U1 135.50(9) 3_666 . ?
 O8 U2 U1 150.44(9) . . ?
 O8 U2 U2 36.71(9) . 3_666 ?
 O8 U2 U2 37.33(9) 3_666 3_666 ?
 O8 U2 U3 103.01(9) 3_666 . ?
 O8 U2 U3 29.72(9) . . ?
 O8 U2 Rb1 58.07(11) 3_666 2 ?
 O8 U2 Rb1 112.54(11) 3_666 . ?
 O8 U2 Rb1 82.46(11) . . ?
 O8 U2 Rb1 82.43(11) . 2 ?
 O8 U2 Rb2 98.68(10) . 1_655 ?
 O8 U2 Rb2 128.78(11) 3_666 1_655 ?
 O8 U2 O8 74.04(15) 3_666 . ?
 U2 U3 U2 180.0 . 3_656 ?
 U2 U3 Rb1 116.486(9) . 3_656 ?
 U2 U3 Rb1 116.486(9) 3_656 . ?
 U2 U3 Rb1 62.339(9) 3_656 2_545 ?
 U2 U3 Rb1 117.661(9) . 2_545 ?
 U2 U3 Rb1 62.339(9) . 4_666 ?
 U2 U3 Rb1 63.514(9) . . ?
 U2 U3 Rb1 117.661(9) 3_656 4_666 ?
 U2 U3 Rb1 63.514(9) 3_656 3_656 ?
 Rb1 U3 Rb1 54.167(8) . 2_545 ?
 Rb1 U3 Rb1 180.0 4_666 2_545 ?
 Rb1 U3 Rb1 125.833(8) . 4_666 ?
 Rb1 U3 Rb1 180.0 3_656 . ?
 Rb1 U3 Rb1 54.167(8) 3_656 4_666 ?
 Rb1 U3 Rb1 125.832(8) 3_656 2_545 ?
 Cl1 U3 U2 86.38(4) . 3_656 ?
 Cl1 U3 U2 93.62(4) 3_656 3_656 ?
 Cl1 U3 U2 93.62(4) . . ?
 Cl1 U3 U2 86.38(4) 3_656 . ?
 Cl1 U3 Rb1 136.48(4) . 4_666 ?
 Cl1 U3 Rb1 43.52(4) 3_656 4_666 ?
 Cl1 U3 Rb1 136.48(4) 3_656 2_545 ?
 Cl1 U3 Rb1 43.52(4) . 2_545 ?
 Cl1 U3 Rb1 131.31(4) 3_656 . ?
 Cl1 U3 Rb1 48.69(4) 3_656 3_656 ?
 Cl1 U3 Rb1 48.69(4) . . ?
 Cl1 U3 Rb1 131.31(4) . 3_656 ?
 Cl1 U3 Cl1 180.0 . 3_656 ?
 O7 U3 U2 126.56(14) 4_566 . ?
 O7 U3 U2 53.44(14) 2_645 . ?
 O7 U3 U2 53.44(14) 4_566 3_656 ?
 O7 U3 U2 126.56(13) 2_645 3_656 ?
 O7 U3 Rb1 42.77(16) 4_566 3_656 ?
 O7 U3 Rb1 80.07(16) 4_566 4_666 ?
 O7 U3 Rb1 137.23(16) 2_645 3_656 ?
 O7 U3 Rb1 137.23(16) 4_566 . ?
 O7 U3 Rb1 42.77(16) 2_645 . ?
 O7 U3 Rb1 80.07(15) 2_645 2_545 ?
 O7 U3 Rb1 99.93(15) 2_645 4_666 ?
 O7 U3 Rb1 99.93(15) 4_566 2_545 ?
 O7 U3 Cl1 88.70(17) 2_645 3_656 ?
 O7 U3 Cl1 88.70(17) 4_566 . ?
 O7 U3 Cl1 91.30(17) 4_566 3_656 ?
 O7 U3 Cl1 91.30(17) 2_645 . ?
 O7 U3 O7 180.000(1) 4_566 2_645 ?
 O7 U3 O8 87.70(17) 4_566 3_656 ?
 O7 U3 O8 92.30(17) 4_566 . ?
 O7 U3 O8 92.30(17) 2_645 3_656 ?
 O7 U3 O8 87.70(17) 2_645 . ?
 O8 U3 U2 34.55(10) 3_656 3_656 ?
 O8 U3 U2 34.55(10) . . ?
 O8 U3 U2 145.45(10) 3_656 . ?
 O8 U3 U2 145.45(10) . 3_656 ?
 O8 U3 Rb1 95.60(12) . 3_656 ?
 O8 U3 Rb1 84.40(12) 3_656 3_656 ?
 O8 U3 Rb1 84.40(12) . . ?
 O8 U3 Rb1 50.37(13) . 4_666 ?
 O8 U3 Rb1 50.37(13) 3_656 2_545 ?
 O8 U3 Rb1 129.63(13) . 2_545 ?
 O8 U3 Rb1 129.63(13) 3_656 4_666 ?
 O8 U3 Rb1 95.60(12) 3_656 . ?
 O8 U3 Cl1 88.74(13) 3_656 3_656 ?
 O8 U3 Cl1 91.26(13) . 3_656 ?
 O8 U3 Cl1 91.26(13) 3_656 . ?
 O8 U3 Cl1 88.74(13) . . ?
 O8 U3 O8 180.0 3_656 . ?
 U1 Rb1 Rb2 67.773(14) 2_645 4_665 ?
 Rb1 Rb1 U1 93.08(2) 2_545 2_645 ?
 Rb1 Rb1 U1 118.58(2) 2 2_645 ?
 Rb1 Rb1 Rb1 118.52(3) 2 2_545 ?
 Rb1 Rb1 Rb2 110.357(19) 2 4_665 ?
 Rb1 Rb1 Rb2 130.72(2) 2_545 4_665 ?
 Cl1 Rb1 U1 97.10(4) . 2_645 ?
 Cl1 Rb1 U1 112.00(4) 2 2_645 ?
 Cl1 Rb1 Rb1 154.72(4) 2 2_545 ?
 Cl1 Rb1 Rb1 49.77(4) . 2_545 ?
 Cl1 Rb1 Rb1 73.62(4) . 2 ?
 Cl1 Rb1 Rb1 52.60(4) 2 2 ?
 Cl1 Rb1 Rb2 61.31(4) 2 4_665 ?
 Cl1 Rb1 Rb2 164.61(4) . 4_665 ?
 Cl1 Rb1 Cl1 125.91(6) 2 . ?
 Cl1 Rb1 O7 125.34(9) 2 2_645 ?
 Cl1 Rb1 O8 60.97(7) 2 4_565 ?
 Cl1 Rb1 O8 111.17(7) . 4_565 ?
 O2 Rb1 U1 20.78(11) 2_645 2_645 ?
 O2 Rb1 Rb1 131.94(10) 2_645 2 ?
 O2 Rb1 Rb1 96.33(9) 2_645 2_545 ?
 O2 Rb1 Rb2 51.10(10) 2_645 4_665 ?
 O2 Rb1 Cl1 106.01(10) 2_645 2 ?
 O2 Rb1 Cl1 114.79(11) 2_645 . ?
 O2 Rb1 O3 131.60(13) 2_645 2_545 ?
 O2 Rb1 O3 90.19(14) 2_645 . ?
 O2 Rb1 O4 76.99(15) 2_645 4_565 ?
 O2 Rb1 O7 58.12(13) 2_645 2_645 ?
 O2 Rb1 O8 128.47(13) 2_645 4_565 ?
 O3 Rb1 U1 136.88(10) 2_545 2_645 ?
 O3 Rb1 U1 75.14(10) . 2_645 ?
 O3 Rb1 Rb1 96.02(10) 2_545 2 ?
 O3 Rb1 Rb1 43.44(10) . 2 ?
 O3 Rb1 Rb1 124.63(9) . 2_545 ?
 O3 Rb1 Rb1 45.49(10) 2_545 2_545 ?
 O3 Rb1 Rb2 125.65(10) 2_545 4_665 ?
 O3 Rb1 Rb2 94.93(9) . 4_665 ?
 O3 Rb1 Cl1 109.35(10) 2_545 2 ?
 O3 Rb1 Cl1 67.17(10) 2_545 . ?
 O3 Rb1 Cl1 77.72(9) . . ?
 O3 Rb1 Cl1 67.91(10) . 2 ?
 O3 Rb1 O3 133.42(9) 2_545 . ?
 O3 Rb1 O4 79.41(13) 2_545 4_565 ?
 O3 Rb1 O4 138.31(12) . 4_565 ?
 O3 Rb1 O7 60.96(12) . 2_645 ?
 O3 Rb1 O7 119.06(13) 2_545 2_645 ?
 O3 Rb1 O8 121.72(12) . 4_565 ?
 O3 Rb1 O8 52.41(12) 2_545 4_565 ?
 O4 Rb1 U1 97.74(10) 4_565 2_645 ?
 O4 Rb1 Rb1 96.40(9) 4_565 2_545 ?
 O4 Rb1 Rb1 125.68(9) 4_565 2 ?
 O4 Rb1 Rb2 46.47(9) 4_565 4_665 ?
 O4 Rb1 Cl1 143.64(10) 4_565 . ?
 O4 Rb1 Cl1 77.72(9) 4_565 2 ?
 O4 Rb1 O7 132.88(12) 4_565 2_645 ?
 O4 Rb1 O8 51.97(11) 4_565 4_565 ?
 O7 Rb1 U1 37.96(8) 2_645 2_645 ?
 O7 Rb1 Rb1 96.85(8) 2_645 2 ?
 O7 Rb1 Rb1 76.61(8) 2_645 2_545 ?
 O7 Rb1 Rb2 104.32(8) 2_645 4_665 ?
 O7 Rb1 Cl1 60.29(8) 2_645 . ?
 O7 Rb1 O8 171.07(10) 2_645 4_565 ?
 O8 Rb1 U1 149.15(6) 4_565 2_645 ?
 O8 Rb1 Rb1 82.37(7) 4_565 2 ?
 O8 Rb1 Rb1 95.88(7) 4_565 2_545 ?
 O8 Rb1 Rb2 84.21(6) 4_565 4_665 ?
 Rb2 Rb2 U1 121.59(3) 3_566 2_545 ?
 Rb2 Rb2 U1 66.19(2) 3_556 2_545 ?
 Rb2 Rb2 Rb2 163.80(4) 3_566 3_556 ?
 Rb2 Rb2 Cl1 115.75(4) 3_566 3_556 ?
 Rb2 Rb2 Cl1 51.61(3) 3_556 3_556 ?
 Rb2 Rb2 O6 88.84(7) 3_566 1_455 ?
 Cl1 Rb2 U1 67.97(3) 3_556 2_545 ?
 Cl1 Rb2 U1 88.96(4) . 2_545 ?
 Cl1 Rb2 Rb2 66.14(4) . 3_556 ?
 Cl1 Rb2 Rb2 125.27(4) . 3_566 ?
 Cl1 Rb2 Cl1 117.75(3) . 3_556 ?
 Cl1 Rb2 O6 113.71(8) . 1_455 ?
 O1 Rb2 U1 113.83(10) 4_566 2_545 ?
 O1 Rb2 U1 19.58(10) 2_545 2_545 ?
 O1 Rb2 Rb2 141.17(10) 2_545 3_566 ?
 O1 Rb2 Rb2 48.01(10) 4_566 3_556 ?
 O1 Rb2 Rb2 47.64(10) 2_545 3_556 ?
 O1 Rb2 Rb2 120.64(10) 4_566 3_566 ?
 O1 Rb2 Cl1 67.00(10) 4_566 3_556 ?
 O1 Rb2 Cl1 63.70(10) 2_545 3_556 ?
 O1 Rb2 Cl1 75.88(11) 2_545 . ?
 O1 Rb2 Cl1 72.57(11) 4_566 . ?
 O1 Rb2 O1 95.65(14) 4_566 2_545 ?
 O1 Rb2 O2 147.64(13) 2_545 3_666 ?
 O1 Rb2 O2 87.62(13) 2_545 1_455 ?
 O1 Rb2 O2 163.03(14) 4_566 1_455 ?
 O1 Rb2 O2 71.14(13) 4_566 3_666 ?
 O1 Rb2 O4 95.23(14) 2_545 1_455 ?
 O1 Rb2 O4 92.43(14) 4_566 3_666 ?
 O1 Rb2 O4 121.71(14) 4_566 1_455 ?
 O1 Rb2 O4 141.76(13) 2_545 3_666 ?
 O1 Rb2 O6 140.25(12) 4_566 1_455 ?
 O1 Rb2 O6 52.50(12) 2_545 1_455 ?
 O2 Rb2 U1 72.31(10) 1_455 2_545 ?
 O2 Rb2 U1 144.46(9) 3_666 2_545 ?
 O2 Rb2 Rb2 51.81(8) 3_666 3_566 ?
 O2 Rb2 Rb2 61.96(9) 1_455 3_566 ?
 O2 Rb2 Rb2 132.78(9) 1_455 3_556 ?
 O2 Rb2 Rb2 113.01(8) 3_666 3_556 ?
 O2 Rb2 Cl1 124.35(10) 3_666 . ?
 O2 Rb2 Cl1 92.22(10) 1_455 . ?
 O2 Rb2 Cl1 83.95(9) 3_666 3_556 ?
 O2 Rb2 Cl1 128.62(11) 1_455 3_556 ?
 O2 Rb2 O2 113.77(11) 1_455 3_666 ?
 O2 Rb2 O4 75.12(14) 1_455 3_666 ?
 O2 Rb2 O4 74.36(13) 1_455 1_455 ?
 O2 Rb2 O6 52.65(12) 1_455 1_455 ?
 O2 Rb2 O6 121.28(11) 3_666 1_455 ?
 O4 Rb2 U1 79.45(9) 1_455 2_545 ?
 O4 Rb2 U1 140.85(10) 3_666 2_545 ?
 O4 Rb2 Rb2 56.45(9) 3_666 3_566 ?
 O4 Rb2 Rb2 128.18(9) 3_666 3_556 ?
 O4 Rb2 Rb2 117.28(9) 1_455 3_556 ?
 O4 Rb2 Rb2 55.44(9) 1_455 3_566 ?
 O4 Rb2 Cl1 67.55(9) 1_455 3_556 ?
 O4 Rb2 Cl1 151.15(10) 3_666 3_556 ?
 O4 Rb2 Cl1 164.37(11) 1_455 . ?
 O4 Rb2 Cl1 71.10(9) 3_666 . ?
 O4 Rb2 O2 69.86(13) 3_666 3_666 ?
 O4 Rb2 O2 69.63(14) 1_455 3_666 ?
 O4 Rb2 O4 111.89(11) 3_666 1_455 ?
 O4 Rb2 O6 51.69(12) 1_455 1_455 ?
 O4 Rb2 O6 127.19(12) 3_666 1_455 ?
 O6 Rb2 U1 33.02(7) 1_455 2_545 ?
 O6 Rb2 Rb2 96.67(7) 1_455 3_556 ?
 O6 Rb2 Cl1 76.57(7) 1_455 3_556 ?
 U3 Cl1 Rb1 100.83(5) . 2_545 ?
 U3 Cl1 Rb1 93.64(5) . . ?
 U3 Cl1 Rb2 125.81(6) . . ?
 U3 Cl1 Rb2 114.10(6) . 3_556 ?
 Rb1 Cl1 Rb1 77.63(4) 2_545 . ?
 Rb1 Cl1 Rb2 123.99(6) 2_545 . ?
 Rb1 Cl1 Rb2 141.83(6) . 3_556 ?
 Rb1 Cl1 Rb2 71.98(4) 2_545 3_556 ?
 Rb2 Cl1 Rb1 122.20(6) . . ?
 Rb2 Cl1 Rb2 62.25(3) . 3_556 ?
 U1 O1 Rb2 141.3(2) . 4_665 ?
 U1 O1 Rb2 129.3(2) . 2 ?
 Rb2 O1 Rb2 84.35(14) 4_665 2 ?
 U1 O2 Rb1 126.8(2) . 2_655 ?
 U1 O2 Rb2 129.2(2) . 3_666 ?
 U1 O2 Rb2 124.3(2) . 1_655 ?
 Rb1 O2 Rb2 104.17(17) 2_655 1_655 ?
 Rb1 O2 Rb2 87.38(13) 2_655 3_666 ?
 Rb2 O2 Rb2 66.23(11) 1_655 3_666 ?
 U2 O3 Rb1 132.2(2) . 2 ?
 U2 O3 Rb1 134.2(2) . . ?
 Rb1 O3 Rb1 91.07(15) 2 . ?
 U2 O4 Rb1 129.3(2) . 4_666 ?
 U2 O4 Rb2 122.2(2) . 1_655 ?
 U2 O4 Rb2 130.8(2) . 3_666 ?
 Rb1 O4 Rb2 96.67(15) 4_666 3_666 ?
 Rb1 O4 Rb2 87.79(13) 4_666 1_655 ?
 Rb2 O4 Rb2 68.11(11) 3_666 1_655 ?
 U1 O5 U1 105.47(16) 2_655 . ?
 U2 O5 U1 105.26(16) . . ?
 U2 O5 U1 148.76(19) . 2_655 ?
 U1 O6 U1 111.23(16) . 2_645 ?
 U1 O6 Rb2 90.98(14) 2_645 1_655 ?
 U1 O6 Rb2 92.82(14) . 1_655 ?
 U2 O6 U1 138.20(19) . 2_645 ?
 U2 O6 U1 109.48(18) . . ?
 U2 O6 Rb2 96.14(15) . 1_655 ?
 U1 O7 Rb1 89.17(13) . 2_655 ?
 U3 O7 U1 153.8(3) 2_655 . ?
 U3 O7 Rb1 114.5(2) 2_655 2_655 ?
 U2 O8 U2 105.96(15) 3_666 . ?
 U2 O8 Rb1 91.51(12) . 4_666 ?
 U2 O8 Rb1 87.86(12) 3_666 4_666 ?
 U3 O8 U2 115.73(16) . . ?
 U3 O8 U2 136.36(18) . 3_666 ?
 U3 O8 Rb1 102.84(15) . 4_666 ?

#===END

data_Cs5U7O22Cl3
_audit_creation_date              2013-05-08
_audit_creation_method
;
  Olex2 1.2
  (compiled Apr 23 2013 17:59:47, GUI svn.r4466)
;
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_chemical_name_common             ?
_chemical_name_systematic
;
 ? 
;
_chemical_formula_moiety          'Cl3 Cs5 O22 U7'
_chemical_formula_sum             'Cl3 Cs5 O22 U7'
_chemical_formula_weight          2789.11
_chemical_melting_point           ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cs' 'Cs' -0.3680 2.1192
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'U' 'U' -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system       'monoclinic'
_space_group_IT_number            14
_space_group_name_H-M_alt         'P 1 21/n 1'
_space_group_name_Hall            '-P 2yn'
loop_
  _space_group_symop_id
  _space_group_symop_operation_xyz
 1 'x, y, z'
 2 '-x+1/2, y+1/2, -z+1/2'
 3 '-x, -y, -z'
 4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                    10.6214(5)
_cell_length_b                    18.1071(8)
_cell_length_c                    16.0857(7)
_cell_angle_alpha                 90.00
_cell_angle_beta                  102.9850(10)
_cell_angle_gamma                 90.00
_cell_volume                      3014.5(2)
_cell_formula_units_Z             4
_cell_measurement_reflns_used     4341
_cell_measurement_temperature     296(2)
_cell_measurement_theta_max       31.16
_cell_measurement_theta_min       2.60
_exptl_absorpt_coefficient_mu     43.755
_exptl_absorpt_correction_T_max   1
_exptl_absorpt_correction_T_min   0.263689
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_process_details
;
SADABS v.2.10 (Bruker,2003) was used for absorption correction.
R(int) was 0.2003 before and 0.0623 after correction.
The Ratio of minimum to maximum transmission is 0.2637.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour             Orange
_exptl_crystal_colour_primary     Orange
_exptl_crystal_density_diffrn     6.145
_exptl_crystal_density_meas       .
_exptl_crystal_density_method     'not measured'
_exptl_crystal_description        plate
_exptl_crystal_F_000              4584
_exptl_crystal_size_max           0.06
_exptl_crystal_size_mid           0.05
_exptl_crystal_size_min           0.03
_exptl_special_details
;
 The data collection nominally covered a full sphere of reciprocal space by
 a combination of 9 sets of ω and φ scans each set at different φ, ω,
 and/or 2θ angles and each scan (15 s exposure) covering -0.300° degrees.
 The crystal to detector distance was 4.956 cm.
;
_diffrn_reflns_av_R_equivalents   0.1058
_diffrn_reflns_av_unetI/netI      0.0563
_diffrn_reflns_limit_h_max        15
_diffrn_reflns_limit_h_min        -15
_diffrn_reflns_limit_k_max        26
_diffrn_reflns_limit_k_min        -26
_diffrn_reflns_limit_l_max        23
_diffrn_reflns_limit_l_min        -23
_diffrn_reflns_number             84222
_diffrn_reflns_theta_full         31.50
_diffrn_reflns_theta_max          31.50
_diffrn_reflns_theta_min          1.72
_diffrn_ambient_temperature       296(2)
_diffrn_detector_area_resol_mean  ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type   'CCD area detector'
_diffrn_measurement_method        'phi and omega scans'
_diffrn_radiation_monochromator   graphite
_diffrn_radiation_type            MoK\a
_diffrn_radiation_wavelength      0.71073
_diffrn_source                    'fine-focus sealed tube'
_diffrn_source_current            35.0
_diffrn_source_power              1.575
_diffrn_source_target             Mo
_diffrn_source_voltage            45.0
_diffrn_standards_decay_%         ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_number          ?
_reflns_number_gt                 7724
_reflns_number_total              10051
_reflns_threshold_expression      >2sigma(I)
_computing_cell_refinement        'SAINT v6.45A (Bruker, 2003)'
_computing_data_collection        ?
_computing_data_reduction         'SAINT v6.45A (Bruker, 2003)'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
SHELXS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max          2.204
_refine_diff_density_min          -2.001
_refine_diff_density_rms          0.458
_refine_ls_extinction_coef        ?
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.032
_refine_ls_hydrogen_treatment     ?
_refine_ls_matrix_type            full
_refine_ls_number_parameters      337
_refine_ls_number_reflns          10051
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0628
_refine_ls_R_factor_gt            0.0409
_refine_ls_restrained_S_all       1.032
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0259P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.0734
_refine_ls_wR_factor_ref          0.0808
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description
;
;
_atom_sites_solution_hydrogens    ?
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_symmetry_multiplicity
  _atom_site_calc_flag
  _atom_site_refinement_flags
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 U1 U 0.10919(3) 0.219204(18) 0.51055(3) 0.01587(8) Uani 1 1 d . . .
 U2 U 0.11338(3) 0.423831(18) 0.51126(3) 0.01566(8) Uani 1 1 d . . .
 U3 U 0.33458(3) 0.064283(19) 0.50177(3) 0.01568(8) Uani 1 1 d . . .
 U4 U 0.42925(3) 0.300152(19) 0.51038(3) 0.01545(8) Uani 1 1 d . . .
 U5 U 0.70230(3) 0.142191(18) 0.50181(3) 0.01632(8) Uani 1 1 d . . .
 U6 U 0.79237(3) 0.344750(19) 0.50609(3) 0.01581(8) Uani 1 1 d . . .
 U7 U 0.0000 0.0000 0.5000 0.01677(11) Uani 1 2 d S . .
 U8 U 0.5000 0.5000 0.5000 0.01651(11) Uani 1 2 d S . .
 Cs1 Cs 0.23686(7) 0.19590(4) 0.27613(5) 0.02883(16) Uani 1 1 d . . .
 Cs2 Cs 0.52021(7) 0.35534(5) 0.25444(6) 0.03678(19) Uani 1 1 d . . .
 Cs3 Cs 0.43339(7) 0.02445(4) 0.23416(5) 0.03007(16) Uani 1 1 d . . .
 Cs4 Cs 0.91145(7) 0.32340(4) 0.25069(5) 0.02939(16) Uani 1 1 d . . .
 Cs5 Cs 0.88048(8) 0.10495(4) 0.25341(6) 0.03718(19) Uani 1 1 d . . .
 Cl1 Cl 0.6302(3) 0.16308(17) 0.3312(2) 0.0370(7) Uani 1 1 d . . .
 Cl2 Cl 0.7059(3) 0.13613(16) 0.6702(2) 0.0308(6) Uani 1 1 d . . .
 Cl3 Cl 0.4020(3) 0.50843(16) 0.3301(2) 0.0333(7) Uani 1 1 d . . .
 O1 O 0.0604(7) 0.2236(4) 0.3949(5) 0.0252(17) Uani 1 1 d . . .
 O2 O 0.1515(7) 0.2086(4) 0.6256(5) 0.0259(17) Uani 1 1 d . . .
 O3 O 0.1246(6) 0.0959(3) 0.4957(6) 0.0236(18) Uani 1 1 d . . .
 O4 O 0.3310(7) 0.1868(3) 0.5048(5) 0.0218(17) Uani 1 1 d . . .
 O5 O 0.2353(6) 0.3190(3) 0.5243(5) 0.0218(17) Uani 1 1 d . . .
 O6 O -0.0066(6) 0.3204(3) 0.5184(5) 0.0208(16) Uani 1 1 d . . .
 O7 O -0.1381(7) 0.1927(4) 0.5117(5) 0.0243(17) Uani 1 1 d . . .
 O8 O 0.0784(8) 0.4117(4) 0.3974(6) 0.0281(18) Uani 1 1 d . . .
 O9 O 0.1513(8) 0.4375(4) 0.6262(6) 0.0281(18) Uani 1 1 d . . .
 O10 O 0.3553(7) 0.4445(4) 0.5139(5) 0.0227(16) Uani 1 1 d . . .
 O11 O 0.1043(7) 0.5470(4) 0.4914(6) 0.0248(19) Uani 1 1 d . . .
 O12 O 0.3006(7) 0.0603(4) 0.3873(5) 0.0238(17) Uani 1 1 d . . .
 O13 O 0.3774(8) 0.0584(4) 0.6177(6) 0.0278(18) Uani 1 1 d . . .
 O14 O 0.2055(7) -0.0465(4) 0.5051(6) 0.0266(19) Uani 1 1 d . . .
 O15 O 0.4436(7) -0.0743(4) 0.5062(5) 0.0200(15) Uani 1 1 d . . .
 O16 O 0.3857(7) 0.3046(4) 0.3963(6) 0.0264(18) Uani 1 1 d . . .
 O17 O 0.4834(7) 0.2990(4) 0.6257(5) 0.0242(17) Uani 1 1 d . . .
 O18 O 0.6256(6) 0.2431(3) 0.5037(5) 0.0173(15) Uani 1 1 d . . .
 O19 O 0.7609(7) 0.3409(4) 0.3907(6) 0.0275(18) Uani 1 1 d . . .
 O20 O 0.8141(7) 0.3445(4) 0.6208(5) 0.0258(17) Uani 1 1 d . . .
 O21 O 0.0343(8) 0.0093(4) 0.6150(5) 0.0276(18) Uani 1 1 d . . .
 O22 O 0.4152(6) 0.6014(4) 0.5058(5) 0.0205(16) Uani 1 1 d . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 

 U1 U2 3.7054(5) . ?
 U1 U3 3.7111(5) . ?
 U1 U4 3.7026(5) . ?
 U1 U6 4.0482(5) 1_455 ?
 U1 Cs1 4.3051(9) . ?
 U2 U2 3.6261(7) 3_566 ?
 U2 U4 4.0364(5) . ?
 U2 U6 3.6818(5) 1_455 ?
 U2 Cs3 4.2743(9) 2 ?
 U3 U5 3.7582(5) 3_656 ?
 U3 U7 3.7335(4) . ?
 U3 Cs1 4.2707(9) . ?
 U3 Cs4 4.4006(9) 4_566 ?
 U4 U5 4.0976(5) . ?
 U4 U6 3.9562(5) . ?
 U4 U8 3.7073(4) . ?
 U5 U3 3.7582(5) 3_656 ?
 U5 U6 3.7872(5) . ?
 U5 U7 4.0829(4) 1_655 ?
 U5 Cs2 4.6638(10) 4_666 ?
 U5 Cs5 4.8374(10) . ?
 U6 U1 4.0483(5) 1_655 ?
 U6 U2 3.6818(5) 1_655 ?
 U6 Cs3 4.3409(9) 4_666 ?
 U7 U3 3.7335(4) 3_556 ?
 U7 U5 4.0828(4) 3_656 ?
 U7 U5 4.0828(4) 1_455 ?
 U7 Cs5 4.3236(9) 1_455 ?
 U7 Cs5 4.3236(9) 3_656 ?
 U8 U4 3.7073(4) 3_666 ?
 U8 Cs2 4.7844(9) 3_666 ?
 U8 Cs2 4.7844(9) . ?
 U8 Cs5 4.9157(9) 4_566 ?
 U8 Cs5 4.9157(9) 2_655 ?
 Cs1 Cs3 3.8839(10) . ?
 Cs1 Cs4 4.0998(10) 1_455 ?
 Cs1 Cs5 4.0685(11) 1_455 ?
 Cs2 Cs4 4.2093(11) . ?
 Cs3 U2 4.2743(9) 2_545 ?
 Cs3 Cs4 3.9809(10) 2_645 ?
 Cs2 U1 4.4467(10) 4_665 ?
 Cs4 U3 4.4006(9) 4_665 ?
 Cs4 Cs1 4.0998(10) 1_655 ?
 Cs4 Cs3 3.9808(10) 2_655 ?
 Cs4 Cs5 3.9703(10) . ?
 Cs5 U2 4.3043(10) 4_665 ?
 Cs5 U4 4.4061(10) 4_665 ?
 Cs5 U7 4.3236(9) 1_655 ?
 Cs5 Cs1 4.0685(11) 1_655 ?
 Cs5 Cs2 4.6494(12) 2_645 ?
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 U1 O1 1.818(8) . ?
 U1 O2 1.815(8) . ?
 U1 O3 2.255(6) . ?
 U1 O4 2.449(7) . ?
 U1 O5 2.230(6) . ?
 U1 O6 2.226(6) . ?
 U1 O7 2.674(7) . ?
 U2 O5 2.282(6) . ?
 U2 O6 2.283(6) . ?
 U2 O8 1.798(9) . ?
 U2 O9 1.818(9) . ?
 U2 O10 2.587(7) . ?
 U2 O11 2.253(7) . ?
 U2 O11 2.362(7) 3_566 ?
 U3 O3 2.283(7) . ?
 U3 O4 2.220(6) . ?
 U3 O12 1.797(8) . ?
 U3 O13 1.820(9) . ?
 U3 O14 2.437(7) . ?
 U3 O15 2.758(7) . ?
 U3 O15 2.395(7) 3_656 ?
 U4 O4 2.295(6) . ?
 U4 O5 2.148(7) . ?
 U4 O10 2.733(7) . ?
 U4 O16 1.790(9) . ?
 U4 O17 1.814(8) . ?
 U4 O18 2.352(6) . ?
 U4 O22 2.484(7) 3_666 ?
 U5 Cl1 2.706(3) . ?
 U5 Cl2 2.702(3) . ?
 U5 O7 1.901(7) 1_655 ?
 U5 O14 2.005(7) 3_656 ?
 U5 O15 1.960(7) 3_656 ?
 U5 O18 2.003(6) . ?
 U6 O6 2.145(7) 1_655 ?
 U6 O7 2.846(7) 1_655 ?
 U6 O11 2.242(7) 3_666 ?
 U6 O18 2.549(6) . ?
 U6 O19 1.812(9) . ?
 U6 O20 1.807(8) . ?
 U6 O22 2.379(7) 3_666 ?
 U7 O3 2.194(6) . ?
 U7 O3 2.194(6) 3_556 ?
 U7 O14 2.324(7) . ?
 U7 O14 2.324(7) 3_556 ?
 U7 O21 1.811(9) 3_556 ?
 U7 O21 1.811(9) . ?
 U8 Cl3 2.701(3) 3_666 ?
 U8 Cl3 2.701(3) . ?
 U8 O10 1.892(7) 3_666 ?
 U8 O10 1.892(7) . ?
 U8 O22 2.056(7) 3_666 ?
 U8 O22 2.056(7) . ?
 Cs1 Cl1 4.115(4) . ?
 Cs1 Cl2 3.466(3) 4_565 ?
 Cs1 Cl3 3.935(3) 2_545 ?
 Cs1 O1 3.004(8) . ?
 Cs1 O4 3.592(9) . ?
 Cs1 O12 3.023(7) . ?
 Cs1 O16 2.956(8) . ?
 Cs1 O17 3.191(8) 4_565 ?
 Cs1 O20 2.893(8) 4_565 ?
 Cs2 Cl1 3.789(3) . ?
 Cs2 Cl2 3.312(3) 4_565 ?
 Cs2 Cl3 3.381(3) . ?
 Cs2 O2 2.979(8) 4_665 ?
 Cs2 O16 3.092(8) . ?
 Cs2 O19 2.981(8) . ?
 Cs2 O21 3.349(8) 4_665 ?
 Cs3 Cl1 3.412(3) . ?
 Cs3 Cl2 3.747(3) 3_656 ?
 Cs3 Cl3 3.491(3) 2_545 ?
 Cs3 O8 2.923(8) 2_545 ?
 Cs3 O9 3.264(8) 4_665 ?
 Cs3 O11 3.583(9) 2_545 ?
 Cs3 O12 3.168(8) . ?
 Cs3 O13 3.133(9) 3_656 ?
 Cs3 O20 3.086(8) 4_565 ?
 Cs4 Cl2 3.718(3) 4_665 ?
 Cs4 O1 3.082(8) 1_655 ?
 Cs4 O2 3.083(8) 4_665 ?
 Cs4 O8 3.065(8) 1_655 ?
 Cs4 O13 2.991(8) 4_665 ?
 Cs4 O17 3.199(8) 4_665 ?
 Cs4 O19 3.057(8) . ?
 Cs5 Cl1 3.351(4) . ?
 Cs5 Cl3 3.405(3) 2_645 ?
 Cs5 O1 3.390(8) 1_655 ?
 Cs5 O9 2.910(8) 4_665 ?
 Cs5 O17 3.075(8) 4_665 ?
 Cs5 O21 2.952(8) 3_656 ?
 Cl2 Cs1 3.466(3) 4_666 ?
 Cl2 Cs2 3.312(3) 4_666 ?
 Cl2 Cs3 3.747(3) 3_656 ?
 Cl2 Cs4 3.718(3) 4_566 ?
 Cl3 Cs1 3.935(3) 2 ?
 Cl3 Cs3 3.491(3) 2 ?
 Cl3 Cs5 3.405(3) 2_655 ?
 O1 Cs4 3.081(8) 1_455 ?
 O1 Cs5 3.390(8) 1_455 ?
 O2 Cs2 2.979(8) 4_566 ?
 O2 Cs4 3.083(8) 4_566 ?
 O6 U6 2.145(7) 1_455 ?
 O7 U5 1.902(7) 1_455 ?
 O7 U6 2.846(7) 1_455 ?
 O8 Cs3 2.923(8) 2 ?
 O8 Cs4 3.065(8) 1_455 ?
 O9 Cs3 3.264(8) 4_566 ?
 O9 Cs5 2.910(8) 4_566 ?
 O11 U2 2.362(7) 3_566 ?
 O11 U6 2.242(6) 3_666 ?
 O11 Cs3 3.584(9) 2 ?
 O13 Cs3 3.133(9) 3_656 ?
 O13 Cs4 2.991(8) 4_566 ?
 O14 U5 2.005(7) 3_656 ?
 O15 U3 2.395(7) 3_656 ?
 O15 U5 1.960(7) 3_656 ?
 O17 Cs1 3.191(8) 4_666 ?
 O17 Cs4 3.199(8) 4_566 ?
 O17 Cs5 3.075(8) 4_566 ?
 O20 Cs1 2.893(8) 4_666 ?
 O20 Cs3 3.086(8) 4_666 ?
 O21 Cs2 3.349(8) 4_566 ?
 O21 Cs5 2.952(8) 3_656 ?
 O22 U4 2.484(7) 3_666 ?
 O22 U6 2.379(7) 3_666 ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 U2 U1 U3 138.465(13) . . ?
 U2 U1 U6 56.490(9) . 1_455 ?
 U2 U1 Cs1 95.438(14) . . ?
 U3 U1 U6 164.702(12) . 1_455 ?
 U3 U1 Cs1 63.881(13) . . ?
 U4 U1 U2 66.032(10) . . ?
 U4 U1 U3 72.480(10) . . ?
 U4 U1 U6 122.506(12) . 1_455 ?
 U4 U1 Cs1 64.419(13) . . ?
 U6 U1 Cs1 117.626(15) 1_455 . ?
 O1 U1 U2 87.7(2) . . ?
 O1 U1 U3 91.9(2) . . ?
 O1 U1 U4 91.9(2) . . ?
 O1 U1 U6 85.0(2) . 1_455 ?
 O1 U1 Cs1 35.0(2) . . ?
 O1 U1 O3 86.9(3) . . ?
 O1 U1 O4 91.6(3) . . ?
 O1 U1 O5 95.3(3) . . ?
 O1 U1 O6 89.3(3) . . ?
 O1 U1 O7 87.7(3) . . ?
 O2 U1 U2 95.9(2) . . ?
 O2 U1 U3 86.8(2) . . ?
 O2 U1 U4 91.5(2) . . ?
 O2 U1 U6 95.3(2) . 1_455 ?
 O2 U1 Cs1 146.0(2) . . ?
 O2 U1 O1 175.9(3) . . ?
 O2 U1 O3 89.8(3) . . ?
 O2 U1 O4 89.6(3) . . ?
 O2 U1 O5 88.8(3) . . ?
 O2 U1 O6 92.4(3) . . ?
 O2 U1 O7 89.6(3) . . ?
 O3 U1 U2 171.54(19) . . ?
 O3 U1 U3 35.40(17) . . ?
 O3 U1 U4 107.65(17) . . ?
 O3 U1 U6 129.34(17) . 1_455 ?
 O3 U1 Cs1 76.4(2) . . ?
 O3 U1 O4 70.5(2) . . ?
 O3 U1 O7 85.3(2) . . ?
 O4 U1 U2 103.20(15) . . ?
 O4 U1 U3 35.27(15) . . ?
 O4 U1 U4 37.22(15) . . ?
 O4 U1 U6 159.45(15) . 1_455 ?
 O4 U1 Cs1 56.5(2) . . ?
 O4 U1 O7 155.8(2) . . ?
 O5 U1 U2 35.24(17) . . ?
 O5 U1 U3 103.75(17) . . ?
 O5 U1 U4 31.59(17) . . ?
 O5 U1 U6 91.46(17) . 1_455 ?
 O5 U1 Cs1 82.3(2) . . ?
 O5 U1 O3 139.1(2) . . ?
 O5 U1 O4 68.7(2) . . ?
 O5 U1 O7 135.5(2) . . ?
 O6 U1 U2 35.24(17) . . ?
 O6 U1 U3 173.55(16) . . ?
 O6 U1 U4 101.15(16) . . ?
 O6 U1 U6 21.74(16) . 1_455 ?
 O6 U1 Cs1 114.7(2) . . ?
 O6 U1 O3 151.0(2) . . ?
 O6 U1 O4 138.4(2) . . ?
 O6 U1 O5 69.8(2) . . ?
 O6 U1 O7 65.9(2) . . ?
 O7 U1 U2 100.97(15) . . ?
 O7 U1 U3 120.52(15) . . ?
 O7 U1 U4 166.99(15) . . ?
 O7 U1 U6 44.51(15) . 1_455 ?
 O7 U1 Cs1 119.46(18) . . ?
 U1 U2 U4 56.950(9) . . ?
 U1 U2 Cs3 115.122(15) . 2 ?
 U2 U2 U1 138.859(17) 3_566 . ?
 U2 U2 U4 162.872(17) 3_566 . ?
 U2 U2 U6 72.702(12) 3_566 1_455 ?
 U2 U2 Cs3 69.315(16) 3_566 2 ?
 U4 U2 Cs3 99.061(15) . 2 ?
 U6 U2 U1 66.459(10) 1_455 . ?
 U6 U2 U4 123.393(12) 1_455 . ?
 U6 U2 Cs3 103.301(15) 1_455 2 ?
 O5 U2 U1 34.34(16) . . ?
 O5 U2 U2 173.19(16) . 3_566 ?
 O5 U2 U4 23.55(16) . . ?
 O5 U2 U6 100.50(16) . 1_455 ?
 O5 U2 Cs3 112.7(2) . 2 ?
 O5 U2 O6 67.9(2) . . ?
 O5 U2 O10 65.0(2) . . ?
 O5 U2 O11 136.1(2) . 3_566 ?
 O6 U2 U1 34.24(17) . . ?
 O6 U2 U2 105.26(17) . 3_566 ?
 O6 U2 U4 91.08(17) . . ?
 O6 U2 U6 32.58(17) . 1_455 ?
 O6 U2 Cs3 116.5(2) . 2 ?
 O6 U2 O10 132.9(2) . . ?
 O6 U2 O11 68.2(2) . 3_566 ?
 O8 U2 U1 82.8(2) . . ?
 O8 U2 U2 90.6(2) . 3_566 ?
 O8 U2 U4 84.9(2) . . ?
 O8 U2 U6 87.2(3) . 1_455 ?
 O8 U2 Cs3 32.5(2) . 2 ?
 O8 U2 O5 88.6(3) . . ?
 O8 U2 O6 87.8(3) . . ?
 O8 U2 O9 178.8(4) . . ?
 O8 U2 O10 90.7(3) . . ?
 O8 U2 O11 91.8(3) . 3_566 ?
 O8 U2 O11 89.1(3) . . ?
 O9 U2 U1 98.0(2) . . ?
 O9 U2 U2 89.3(2) . 3_566 ?
 O9 U2 U4 94.9(2) . . ?
 O9 U2 U6 93.9(2) . 1_455 ?
 O9 U2 Cs3 146.5(2) . 2 ?
 O9 U2 O5 91.6(3) . . ?
 O9 U2 O6 93.4(3) . . ?
 O9 U2 O10 88.4(3) . . ?
 O9 U2 O11 90.1(3) . . ?
 O9 U2 O11 88.9(3) . 3_566 ?
 O10 U2 U1 98.96(16) . . ?
 O10 U2 U2 121.78(16) . 3_566 ?
 O10 U2 U4 42.02(16) . . ?
 O10 U2 U6 165.41(16) . 1_455 ?
 O10 U2 Cs3 82.11(18) . 2 ?
 O11 U2 U1 102.26(16) 3_566 . ?
 O11 U2 U1 171.8(2) . . ?
 O11 U2 U2 37.15(16) 3_566 3_566 ?
 O11 U2 U2 39.29(17) . 3_566 ?
 O11 U2 U4 123.94(17) . . ?
 O11 U2 U4 159.18(16) 3_566 . ?
 O11 U2 U6 111.83(17) . 1_455 ?
 O11 U2 U6 35.80(16) 3_566 1_455 ?
 O11 U2 Cs3 88.7(2) 3_566 2 ?
 O11 U2 Cs3 56.9(2) . 2 ?
 O11 U2 O5 147.4(2) . . ?
 O11 U2 O6 144.4(2) . . ?
 O11 U2 O10 82.5(2) . . ?
 O11 U2 O10 158.8(2) 3_566 . ?
 O11 U2 O11 76.4(3) . 3_566 ?
 U1 U3 U5 133.364(13) . 3_656 ?
 U1 U3 U7 67.349(8) . . ?
 U1 U3 Cs1 64.838(13) . . ?
 U1 U3 Cs4 66.763(13) . 4_566 ?
 U5 U3 Cs1 122.513(16) 3_656 . ?
 U5 U3 Cs4 118.104(15) 3_656 4_566 ?
 U7 U3 U5 66.045(8) . 3_656 ?
 U7 U3 Cs1 96.796(13) . . ?
 U7 U3 Cs4 97.625(13) . 4_566 ?
 Cs1 U3 Cs4 118.386(16) . 4_566 ?
 O3 U3 U1 34.90(16) . . ?
 O3 U3 U5 98.70(16) . 3_656 ?
 O3 U3 U7 32.75(16) . . ?
 O3 U3 Cs1 77.0(2) . . ?
 O3 U3 Cs4 84.4(2) . 4_566 ?
 O3 U3 O14 70.0(2) . . ?
 O3 U3 O15 160.4(2) . 3_656 ?
 O3 U3 O15 129.0(2) . . ?
 O4 U3 U1 39.57(18) . . ?
 O4 U3 U5 172.93(18) . 3_656 ?
 O4 U3 U7 106.90(18) . . ?
 O4 U3 Cs1 57.2(2) . . ?
 O4 U3 Cs4 61.2(2) . 4_566 ?
 O4 U3 O3 74.3(2) . . ?
 O4 U3 O14 144.1(2) . . ?
 O4 U3 O15 156.7(2) . . ?
 O4 U3 O15 87.0(2) . 3_656 ?
 O12 U3 U1 95.0(2) . . ?
 O12 U3 U5 87.0(2) . 3_656 ?
 O12 U3 U7 90.5(2) . . ?
 O12 U3 Cs1 36.5(2) . . ?
 O12 U3 Cs4 154.8(2) . 4_566 ?
 O12 U3 O3 89.8(3) . . ?
 O12 U3 O4 93.6(3) . . ?
 O12 U3 O13 173.7(3) . . ?
 O12 U3 O14 90.3(3) . . ?
 O12 U3 O15 88.7(3) . . ?
 O12 U3 O15 85.5(3) . 3_656 ?
 O13 U3 U1 91.2(2) . . ?
 O13 U3 U5 87.6(2) . 3_656 ?
 O13 U3 U7 90.4(2) . . ?
 O13 U3 Cs1 149.4(2) . . ?
 O13 U3 Cs4 31.0(2) . 4_566 ?
 O13 U3 O3 94.3(3) . . ?
 O13 U3 O4 92.2(3) . . ?
 O13 U3 O14 86.6(3) . . ?
 O13 U3 O15 92.1(3) . 3_656 ?
 O13 U3 O15 85.0(3) . . ?
 O14 U3 U1 104.51(17) . . ?
 O14 U3 U5 28.86(17) . 3_656 ?
 O14 U3 U7 37.29(17) . . ?
 O14 U3 Cs1 116.6(2) . . ?
 O14 U3 Cs4 110.5(2) . 4_566 ?
 O14 U3 O15 59.0(2) . . ?
 O15 U3 U1 126.56(16) 3_656 . ?
 O15 U3 U1 163.24(14) . . ?
 O15 U3 U5 30.34(14) . 3_656 ?
 O15 U3 U5 100.07(16) 3_656 3_656 ?
 O15 U3 U7 165.77(16) 3_656 . ?
 O15 U3 U7 96.32(14) . . ?
 O15 U3 Cs1 123.37(16) . . ?
 O15 U3 Cs1 88.08(19) 3_656 . ?
 O15 U3 Cs4 113.96(16) . 4_566 ?
 O15 U3 Cs4 91.72(18) 3_656 4_566 ?
 O15 U3 O14 128.9(2) 3_656 . ?
 O15 U3 O15 70.0(2) 3_656 . ?
 U1 U4 U2 57.018(9) . . ?
 U1 U4 U5 112.370(11) . . ?
 U1 U4 U6 168.423(12) . . ?
 U1 U4 U8 125.582(11) . . ?
 U2 U4 U5 169.268(12) . . ?
 U6 U4 U2 134.518(12) . . ?
 U6 U4 U5 56.067(9) . . ?
 U8 U4 U2 68.632(8) . . ?
 U8 U4 U5 121.848(10) . . ?
 U8 U4 U6 65.902(7) . . ?
 O4 U4 U1 40.21(17) . . ?
 O4 U4 U2 97.18(17) . . ?
 O4 U4 U5 72.17(17) . . ?
 O4 U4 U6 128.21(17) . . ?
 O4 U4 U8 165.03(17) . . ?
 O4 U4 O10 136.5(2) . . ?
 O4 U4 O18 90.3(2) . . ?
 O4 U4 O22 161.0(2) . 3_666 ?
 O5 U4 U1 32.95(17) . . ?
 O5 U4 U2 25.12(17) . . ?
 O5 U4 U5 144.74(17) . . ?
 O5 U4 U6 158.54(17) . . ?
 O5 U4 U8 93.36(17) . . ?
 O5 U4 O4 73.0(2) . . ?
 O5 U4 O10 63.8(2) . . ?
 O5 U4 O18 162.8(2) . . ?
 O5 U4 O22 124.9(2) . 3_666 ?
 O10 U4 U1 96.32(14) . . ?
 O10 U4 U2 39.31(14) . . ?
 O10 U4 U5 151.30(14) . . ?
 O10 U4 U6 95.23(14) . . ?
 O10 U4 U8 29.52(14) . . ?
 O16 U4 U1 89.6(2) . . ?
 O16 U4 U2 87.4(2) . . ?
 O16 U4 U5 91.1(2) . . ?
 O16 U4 U6 90.1(2) . . ?
 O16 U4 U8 85.3(2) . . ?
 O16 U4 O4 89.4(3) . . ?
 O16 U4 O5 93.8(3) . . ?
 O16 U4 O10 88.2(3) . . ?
 O16 U4 O17 176.1(3) . . ?
 O16 U4 O18 90.0(3) . . ?
 O16 U4 O22 83.4(3) . 3_666 ?
 O17 U4 U1 94.3(2) . . ?
 O17 U4 U2 94.4(2) . . ?
 O17 U4 U5 87.8(2) . . ?
 O17 U4 U6 86.2(2) . . ?
 O17 U4 U8 92.1(2) . . ?
 O17 U4 O4 93.8(3) . . ?
 O17 U4 O5 89.3(3) . . ?
 O17 U4 O10 90.9(3) . . ?
 O17 U4 O18 87.7(3) . . ?
 O17 U4 O22 92.8(3) . 3_666 ?
 O18 U4 U1 130.54(15) . . ?
 O18 U4 U2 172.05(16) . . ?
 O18 U4 U5 18.20(15) . . ?
 O18 U4 U6 37.89(15) . . ?
 O18 U4 U8 103.65(15) . . ?
 O18 U4 O10 133.1(2) . . ?
 O18 U4 O22 72.1(2) . 3_666 ?
 O22 U4 U1 156.44(16) 3_666 . ?
 O22 U4 U2 100.08(16) 3_666 . ?
 O22 U4 U5 90.30(16) 3_666 . ?
 O22 U4 U6 34.68(16) 3_666 . ?
 O22 U4 U8 31.60(16) 3_666 . ?
 O22 U4 O10 61.1(2) 3_666 . ?
 U3 U5 U4 128.520(12) 3_656 . ?
 U3 U5 U6 171.392(13) 3_656 . ?
 U3 U5 U7 56.686(7) 3_656 1_655 ?
 U3 U5 Cs2 94.330(14) 3_656 4_666 ?
 U3 U5 Cs5 84.687(13) 3_656 . ?
 U4 U5 Cs2 110.080(15) . 4_666 ?
 U4 U5 Cs5 122.433(15) . . ?
 U6 U5 U4 60.078(9) . . ?
 U6 U5 U7 114.707(10) . 1_655 ?
 U6 U5 Cs2 81.048(14) . 4_666 ?
 U6 U5 Cs5 90.338(13) . . ?
 U7 U5 U4 174.593(11) 1_655 . ?
 U7 U5 Cs2 66.549(12) 1_655 4_666 ?
 U7 U5 Cs5 57.236(11) 1_655 . ?
 Cs2 U5 Cs5 112.335(16) 4_666 . ?
 Cl1 U5 U3 96.82(6) . 3_656 ?
 Cl1 U5 U4 84.00(7) . . ?
 Cl1 U5 U6 84.02(7) . . ?
 Cl1 U5 U7 97.12(7) . 1_655 ?
 Cl1 U5 Cs2 150.12(7) . 4_666 ?
 Cl1 U5 Cs5 41.88(7) . . ?
 Cl2 U5 U3 87.30(6) . 3_656 ?
 Cl2 U5 U4 81.11(6) . . ?
 Cl2 U5 U6 94.27(6) . . ?
 Cl2 U5 U7 98.33(6) . 1_655 ?
 Cl2 U5 Cs2 44.15(6) . 4_666 ?
 Cl2 U5 Cs5 154.43(7) . . ?
 Cl2 U5 Cl1 163.68(10) . . ?
 O7 U5 U3 124.6(2) 1_655 3_656 ?
 O7 U5 U4 106.6(2) 1_655 . ?
 O7 U5 U6 46.8(2) 1_655 . ?
 O7 U5 U7 68.1(2) 1_655 1_655 ?
 O7 U5 Cs2 57.7(3) 1_655 4_666 ?
 O7 U5 Cs5 68.2(2) 1_655 . ?
 O7 U5 Cl1 93.5(3) 1_655 . ?
 O7 U5 Cl2 97.1(3) 1_655 . ?
 O7 U5 O14 89.0(3) 1_655 3_656 ?
 O7 U5 O15 169.9(3) 1_655 3_656 ?
 O7 U5 O18 85.3(3) 1_655 . ?
 O14 U5 U3 35.9(2) 3_656 3_656 ?
 O14 U5 U4 164.4(2) 3_656 . ?
 O14 U5 U6 135.5(2) 3_656 . ?
 O14 U5 U7 21.0(2) 3_656 1_655 ?
 O14 U5 Cs2 77.9(2) 3_656 4_666 ?
 O14 U5 Cs5 63.1(3) 3_656 . ?
 O14 U5 Cl1 95.4(3) 3_656 . ?
 O14 U5 Cl2 97.1(3) 3_656 . ?
 O15 U5 U3 45.3(2) 3_656 3_656 ?
 O15 U5 U4 83.4(2) 3_656 . ?
 O15 U5 U6 143.3(2) 3_656 . ?
 O15 U5 U7 101.9(2) 3_656 1_655 ?
 O15 U5 Cs2 118.1(2) 3_656 4_666 ?
 O15 U5 Cs5 108.0(2) 3_656 . ?
 O15 U5 Cl1 89.0(2) 3_656 . ?
 O15 U5 Cl2 82.7(2) 3_656 . ?
 O15 U5 O14 81.0(3) 3_656 3_656 ?
 O15 U5 O18 104.8(3) 3_656 . ?
 O18 U5 U3 150.01(18) . 3_656 ?
 O18 U5 U4 21.51(18) . . ?
 O18 U5 U6 38.60(18) . . ?
 O18 U5 U7 153.30(18) . 1_655 ?
 O18 U5 Cs2 101.3(2) . 4_666 ?
 O18 U5 Cs5 112.1(2) . . ?
 O18 U5 Cl1 82.2(2) . . ?
 O18 U5 Cl2 86.3(2) . . ?
 O18 U5 O14 173.7(3) . 3_656 ?
 U1 U6 Cs3 99.429(14) 1_655 4_666 ?
 U2 U6 U1 57.052(9) 1_655 1_655 ?
 U2 U6 U4 168.664(13) 1_655 . ?
 U2 U6 U5 127.298(12) 1_655 . ?
 U2 U6 Cs3 68.085(13) 1_655 4_666 ?
 U4 U6 U1 134.011(12) . 1_655 ?
 U4 U6 Cs3 104.434(15) . 4_666 ?
 U5 U6 U1 70.249(10) . 1_655 ?
 U5 U6 U4 63.855(9) . . ?
 U5 U6 Cs3 125.560(16) . 4_666 ?
 O6 U6 U1 22.61(17) 1_655 1_655 ?
 O6 U6 U2 34.96(17) 1_655 1_655 ?
 O6 U6 U4 155.55(17) 1_655 . ?
 O6 U6 U5 92.56(16) 1_655 . ?
 O6 U6 Cs3 83.5(2) 1_655 4_666 ?
 O6 U6 O7 63.4(2) 1_655 1_655 ?
 O6 U6 O11 72.8(2) 1_655 3_666 ?
 O6 U6 O18 121.8(2) 1_655 . ?
 O6 U6 O22 167.6(2) 1_655 3_666 ?
 O7 U6 U1 41.20(14) 1_655 1_655 ?
 O7 U6 U2 98.22(14) 1_655 1_655 ?
 O7 U6 U4 92.81(14) 1_655 . ?
 O7 U6 U5 29.15(14) 1_655 . ?
 O7 U6 Cs3 117.58(17) 1_655 4_666 ?
 O11 U6 U1 95.09(17) 3_666 1_655 ?
 O11 U6 U2 38.03(17) 3_666 1_655 ?
 O11 U6 U4 130.81(17) 3_666 . ?
 O11 U6 U5 165.33(17) 3_666 . ?
 O11 U6 Cs3 55.5(2) 3_666 4_666 ?
 O11 U6 O7 136.2(2) 3_666 1_655 ?
 O11 U6 O18 165.3(2) 3_666 . ?
 O11 U6 O22 94.8(2) 3_666 3_666 ?
 O18 U6 U1 99.60(14) . 1_655 ?
 O18 U6 U2 156.65(14) . 1_655 ?
 O18 U6 U4 34.51(14) . . ?
 O18 U6 U5 29.36(14) . . ?
 O18 U6 Cs3 120.89(17) . 4_666 ?
 O18 U6 O7 58.4(2) . 1_655 ?
 O19 U6 U1 87.6(2) . 1_655 ?
 O19 U6 U2 89.7(2) . 1_655 ?
 O19 U6 U4 93.1(2) . . ?
 O19 U6 U5 87.5(2) . . ?
 O19 U6 Cs3 146.7(2) . 4_666 ?
 O19 U6 O6 92.2(3) . 1_655 ?
 O19 U6 O7 89.0(3) . 1_655 ?
 O19 U6 O11 91.6(3) . 3_666 ?
 O19 U6 O18 89.4(3) . . ?
 O19 U6 O22 88.8(3) . 3_666 ?
 O20 U6 U1 93.7(2) . 1_655 ?
 O20 U6 U2 94.2(2) . 1_655 ?
 O20 U6 U4 83.3(2) . . ?
 O20 U6 U5 89.4(2) . . ?
 O20 U6 Cs3 36.7(2) . 4_666 ?
 O20 U6 O6 90.5(3) . 1_655 ?
 O20 U6 O7 89.5(3) . 1_655 ?
 O20 U6 O11 92.0(3) . 3_666 ?
 O20 U6 O18 86.7(3) . . ?
 O20 U6 O19 176.0(3) . . ?
 O20 U6 O22 89.2(3) . 3_666 ?
 O22 U6 U1 169.54(16) 3_666 1_655 ?
 O22 U6 U2 132.77(16) 3_666 1_655 ?
 O22 U6 U4 36.46(16) 3_666 . ?
 O22 U6 U5 99.79(16) 3_666 . ?
 O22 U6 Cs3 88.94(18) 3_666 4_666 ?
 O22 U6 O7 128.9(2) 3_666 1_655 ?
 O22 U6 O18 70.5(2) 3_666 . ?
 U3 U7 U3 180.0 . 3_556 ?
 U3 U7 U5 122.733(8) . 1_455 ?
 U3 U7 U5 57.267(8) 3_556 1_455 ?
 U3 U7 U5 122.732(8) 3_556 3_656 ?
 U3 U7 U5 57.268(8) . 3_656 ?
 U3 U7 Cs5 92.708(12) 3_556 1_455 ?
 U3 U7 Cs5 87.292(12) . 1_455 ?
 U3 U7 Cs5 92.708(12) . 3_656 ?
 U3 U7 Cs5 87.292(12) 3_556 3_656 ?
 U5 U7 U5 180.0 1_455 3_656 ?
 U5 U7 Cs5 109.805(13) 3_656 1_455 ?
 U5 U7 Cs5 70.195(13) 1_455 1_455 ?
 U5 U7 Cs5 70.194(13) 3_656 3_656 ?
 U5 U7 Cs5 109.807(13) 1_455 3_656 ?
 Cs5 U7 Cs5 180.0 1_455 3_656 ?
 O3 U7 U3 34.26(17) . . ?
 O3 U7 U3 145.74(17) 3_556 . ?
 O3 U7 U3 34.26(17) 3_556 3_556 ?
 O3 U7 U3 145.74(17) . 3_556 ?
 O3 U7 U5 88.55(17) 3_556 3_656 ?
 O3 U7 U5 91.44(17) 3_556 1_455 ?
 O3 U7 U5 88.56(17) . 1_455 ?
 O3 U7 U5 91.45(17) . 3_656 ?
 O3 U7 Cs5 71.2(2) . 1_455 ?
 O3 U7 Cs5 108.8(2) 3_556 1_455 ?
 O3 U7 Cs5 71.2(2) 3_556 3_656 ?
 O3 U7 Cs5 108.8(2) . 3_656 ?
 O3 U7 O3 180.000(1) 3_556 . ?
 O3 U7 O14 73.7(2) . . ?
 O3 U7 O14 106.3(2) 3_556 . ?
 O3 U7 O14 73.7(2) 3_556 3_556 ?
 O3 U7 O14 106.3(2) . 3_556 ?
 O14 U7 U3 140.55(16) . 3_556 ?
 O14 U7 U3 39.45(16) 3_556 3_556 ?
 O14 U7 U3 39.45(16) . . ?
 O14 U7 U3 140.55(16) 3_556 . ?
 O14 U7 U5 17.98(16) 3_556 1_455 ?
 O14 U7 U5 162.02(16) . 1_455 ?
 O14 U7 U5 162.02(16) 3_556 3_656 ?
 O14 U7 U5 17.98(16) . 3_656 ?
 O14 U7 Cs5 105.8(2) . 1_455 ?
 O14 U7 Cs5 105.8(2) 3_556 3_656 ?
 O14 U7 Cs5 74.2(2) 3_556 1_455 ?
 O14 U7 Cs5 74.2(2) . 3_656 ?
 O14 U7 O14 179.999(1) 3_556 . ?
 O21 U7 U3 90.5(2) . 3_556 ?
 O21 U7 U3 89.5(2) 3_556 3_556 ?
 O21 U7 U3 89.5(2) . . ?
 O21 U7 U3 90.5(2) 3_556 . ?
 O21 U7 U5 85.0(2) 3_556 3_656 ?
 O21 U7 U5 95.0(2) . 3_656 ?
 O21 U7 U5 95.0(2) 3_556 1_455 ?
 O21 U7 U5 85.0(2) . 1_455 ?
 O21 U7 Cs5 32.2(2) . 3_656 ?
 O21 U7 Cs5 147.8(2) 3_556 3_656 ?
 O21 U7 Cs5 32.2(2) 3_556 1_455 ?
 O21 U7 Cs5 147.8(2) . 1_455 ?
 O21 U7 O3 88.5(3) . . ?
 O21 U7 O3 91.5(3) 3_556 . ?
 O21 U7 O3 88.5(3) 3_556 3_556 ?
 O21 U7 O3 91.5(3) . 3_556 ?
 O21 U7 O14 91.5(3) . . ?
 O21 U7 O14 88.5(3) 3_556 . ?
 O21 U7 O14 88.5(3) . 3_556 ?
 O21 U7 O14 91.5(3) 3_556 3_556 ?
 O21 U7 O21 180.000(1) . 3_556 ?
 U4 U8 U4 179.999(2) 3_666 . ?
 U4 U8 Cs2 116.749(13) 3_666 . ?
 U4 U8 Cs2 63.252(13) . . ?
 U4 U8 Cs2 63.252(13) 3_666 3_666 ?
 U4 U8 Cs2 116.748(13) . 3_666 ?
 U4 U8 Cs5 59.507(12) . 4_566 ?
 U4 U8 Cs5 120.492(12) 3_666 4_566 ?
 U4 U8 Cs5 120.492(11) . 2_655 ?
 U4 U8 Cs5 59.509(11) 3_666 2_655 ?
 Cs2 U8 Cs2 180.0 3_666 . ?
 Cs2 U8 Cs5 57.261(15) . 2_655 ?
 Cs2 U8 Cs5 122.739(15) 3_666 2_655 ?
 Cs2 U8 Cs5 122.738(15) . 4_566 ?
 Cs2 U8 Cs5 57.262(15) 3_666 4_566 ?
 Cs5 U8 Cs5 180.0 4_566 2_655 ?
 Cl3 U8 U4 93.71(6) 3_666 3_666 ?
 Cl3 U8 U4 86.29(6) . 3_666 ?
 Cl3 U8 U4 86.29(6) 3_666 . ?
 Cl3 U8 U4 93.71(6) . . ?
 Cl3 U8 Cs2 136.52(6) . 3_666 ?
 Cl3 U8 Cs2 43.48(6) 3_666 3_666 ?
 Cl3 U8 Cs2 43.48(6) . . ?
 Cl3 U8 Cs2 136.52(6) 3_666 . ?
 Cl3 U8 Cs5 138.42(7) 3_666 2_655 ?
 Cl3 U8 Cs5 41.58(7) . 2_655 ?
 Cl3 U8 Cs5 138.42(7) . 4_566 ?
 Cl3 U8 Cs5 41.58(7) 3_666 4_566 ?
 Cl3 U8 Cl3 180.00(13) . 3_666 ?
 O10 U8 U4 45.4(2) . . ?
 O10 U8 U4 134.6(2) 3_666 . ?
 O10 U8 U4 134.6(2) . 3_666 ?
 O10 U8 U4 45.4(2) 3_666 3_666 ?
 O10 U8 Cs2 89.7(2) . . ?
 O10 U8 Cs2 90.3(2) 3_666 . ?
 O10 U8 Cs2 89.7(2) 3_666 3_666 ?
 O10 U8 Cs2 90.3(2) . 3_666 ?
 O10 U8 Cs5 132.2(2) . 2_655 ?
 O10 U8 Cs5 47.8(2) . 4_566 ?
 O10 U8 Cs5 47.8(2) 3_666 2_655 ?
 O10 U8 Cs5 132.2(2) 3_666 4_566 ?
 O10 U8 Cl3 90.6(3) 3_666 3_666 ?
 O10 U8 Cl3 89.4(3) . 3_666 ?
 O10 U8 Cl3 90.6(3) . . ?
 O10 U8 Cl3 89.4(3) 3_666 . ?
 O10 U8 O10 179.998(1) . 3_666 ?
 O10 U8 O22 95.3(3) 3_666 3_666 ?
 O10 U8 O22 84.7(3) . 3_666 ?
 O10 U8 O22 84.7(3) 3_666 . ?
 O10 U8 O22 95.3(3) . . ?
 O22 U8 U4 39.28(19) . 3_666 ?
 O22 U8 U4 140.72(19) 3_666 3_666 ?
 O22 U8 U4 140.72(19) . . ?
 O22 U8 U4 39.28(19) 3_666 . ?
 O22 U8 Cs2 128.9(2) . . ?
 O22 U8 Cs2 128.9(2) 3_666 3_666 ?
 O22 U8 Cs2 51.1(2) . 3_666 ?
 O22 U8 Cs2 51.1(2) 3_666 . ?
 O22 U8 Cs5 96.3(2) . 4_566 ?
 O22 U8 Cs5 83.7(2) 3_666 4_566 ?
 O22 U8 Cs5 96.3(2) 3_666 2_655 ?
 O22 U8 Cs5 83.7(2) . 2_655 ?
 O22 U8 Cl3 94.5(2) . 3_666 ?
 O22 U8 Cl3 85.5(2) 3_666 3_666 ?
 O22 U8 Cl3 85.5(2) . . ?
 O22 U8 Cl3 94.5(2) 3_666 . ?
 O22 U8 O22 180.0(4) . 3_666 ?
 Cs3 Cs1 Cs4 155.06(3) . 1_455 ?
 Cs3 Cs1 Cs5 100.74(2) . 1_455 ?
 Cs3 Cs1 Cl1 50.40(4) . . ?
 Cs3 Cs1 Cl3 53.03(5) . 2_545 ?
 Cs4 Cs1 Cl1 153.55(5) 1_455 . ?
 Cs5 Cs1 Cs4 58.163(18) 1_455 1_455 ?
 Cs5 Cs1 Cl1 147.15(5) 1_455 . ?
 Cl2 Cs1 Cs3 127.67(6) 4_565 . ?
 Cl2 Cs1 Cs4 58.14(5) 4_565 1_455 ?
 Cl2 Cs1 Cs5 109.13(5) 4_565 1_455 ?
 Cl2 Cs1 Cl1 102.23(7) 4_565 . ?
 Cl2 Cs1 Cl3 123.95(7) 4_565 2_545 ?
 Cl2 Cs1 O4 121.17(12) 4_565 . ?
 Cl3 Cs1 Cs4 102.55(5) 2_545 1_455 ?
 Cl3 Cs1 Cs5 50.32(5) 2_545 1_455 ?
 Cl3 Cs1 Cl1 103.42(6) 2_545 . ?
 O1 Cs1 Cs3 132.90(14) . . ?
 O1 Cs1 Cs4 48.45(15) . 1_455 ?
 O1 Cs1 Cs5 54.83(14) . 1_455 ?
 O1 Cs1 Cl1 129.48(16) . . ?
 O1 Cs1 Cl2 99.34(15) . 4_565 ?
 O1 Cs1 Cl3 101.19(15) . 2_545 ?
 O1 Cs1 O4 54.99(19) . . ?
 O1 Cs1 O12 81.3(2) . . ?
 O1 Cs1 O17 86.4(2) . 4_565 ?
 O4 Cs1 Cs3 96.01(11) . . ?
 O4 Cs1 Cs4 99.34(11) . 1_455 ?
 O4 Cs1 Cs5 96.47(11) . 1_455 ?
 O4 Cs1 Cl1 74.79(12) . . ?
 O4 Cs1 Cl3 113.34(11) . 2_545 ?
 O12 Cs1 Cs3 52.84(15) . . ?
 O12 Cs1 Cs4 126.02(15) . 1_455 ?
 O12 Cs1 Cs5 78.73(14) . 1_455 ?
 O12 Cs1 Cl1 70.97(15) . . ?
 O12 Cs1 Cl2 170.91(15) . 4_565 ?
 O12 Cs1 Cl3 64.44(15) . 2_545 ?
 O12 Cs1 O4 51.94(18) . . ?
 O12 Cs1 O17 120.71(19) . 4_565 ?
 O16 Cs1 Cs3 114.62(14) . . ?
 O16 Cs1 Cs4 90.30(14) . 1_455 ?
 O16 Cs1 Cs5 132.71(15) . 1_455 ?
 O16 Cs1 Cl1 65.64(15) . . ?
 O16 Cs1 Cl2 73.45(16) . 4_565 ?
 O16 Cs1 Cl3 162.10(16) . 2_545 ?
 O16 Cs1 O1 77.9(2) . . ?
 O16 Cs1 O4 51.37(18) . . ?
 O16 Cs1 O12 97.9(2) . . ?
 O16 Cs1 O17 135.46(19) . 4_565 ?
 O17 Cs1 Cs3 106.62(14) 4_565 . ?
 O17 Cs1 Cs4 50.17(14) 4_565 1_455 ?
 O17 Cs1 Cs5 48.28(14) 4_565 1_455 ?
 O17 Cs1 Cl1 144.09(15) 4_565 . ?
 O17 Cs1 Cl2 68.34(14) 4_565 4_565 ?
 O17 Cs1 Cl3 61.69(14) 4_565 2_545 ?
 O17 Cs1 O4 140.46(18) 4_565 . ?
 O20 Cs1 Cs3 51.70(15) 4_565 . ?
 O20 Cs1 Cs4 116.90(15) 4_565 1_455 ?
 O20 Cs1 Cs5 105.01(16) 4_565 1_455 ?
 O20 Cs1 Cl1 71.21(16) 4_565 . ?
 O20 Cs1 Cl2 79.09(15) 4_565 4_565 ?
 O20 Cs1 Cl3 63.79(16) 4_565 2_545 ?
 O20 Cs1 O1 158.4(2) 4_565 . ?
 O20 Cs1 O4 143.61(19) 4_565 . ?
 O20 Cs1 O12 103.7(2) 4_565 . ?
 O20 Cs1 O16 121.3(2) 4_565 . ?
 O20 Cs1 O17 73.0(2) 4_565 4_565 ?
 U1 Cs2 U4 149.63(2) 4_665 . ?
 U6 Cs2 U1 124.763(19) . 4_665 ?
 U6 Cs2 U4 52.353(12) . . ?
 Cs1 Cs2 U1 99.29(2) . 4_665 ?
 Cs1 Cs2 U4 58.451(16) . . ?
 Cs1 Cs2 U6 103.03(2) . . ?
 Cs4 Cs2 U1 62.578(16) . 4_665 ?
 Cs4 Cs2 U4 113.21(2) . . ?
 Cs4 Cs2 U6 64.049(17) . . ?
 Cs4 Cs2 Cs1 128.96(2) . . ?
 Cl1 Cs2 U1 84.11(5) . 4_665 ?
 Cl1 Cs2 U4 67.41(5) . . ?
 Cl1 Cs2 U6 64.62(5) . . ?
 Cl1 Cs2 Cs1 61.35(5) . . ?
 Cl1 Cs2 Cs4 69.22(5) . . ?
 Cl2 Cs2 U1 92.72(6) 4_565 4_665 ?
 Cl2 Cs2 U4 88.93(6) 4_565 . ?
 Cl2 Cs2 U6 140.25(6) 4_565 . ?
 Cl2 Cs2 Cs1 52.91(5) 4_565 . ?
 Cl2 Cs2 Cs4 155.21(6) 4_565 . ?
 Cl2 Cs2 Cl1 112.63(8) 4_565 . ?
 Cl2 Cs2 Cl3 71.78(7) 4_565 . ?
 Cl2 Cs2 O21 83.36(15) 4_565 4_665 ?
 Cl3 Cs2 U1 137.42(6) . 4_665 ?
 Cl3 Cs2 U4 71.48(6) . . ?
 Cl3 Cs2 U6 85.71(6) . . ?
 Cl3 Cs2 Cs1 101.57(6) . . ?
 Cl3 Cs2 Cs4 124.44(6) . . ?
 Cl3 Cs2 Cl1 138.45(8) . . ?
 O2 Cs2 U1 16.86(15) 4_665 4_665 ?
 O2 Cs2 U4 140.56(15) 4_665 . ?
 O2 Cs2 U6 107.95(15) 4_665 . ?
 O2 Cs2 Cs1 104.15(14) 4_665 . ?
 O2 Cs2 Cs4 47.06(15) 4_665 . ?
 O2 Cs2 Cl1 73.21(16) 4_665 . ?
 O2 Cs2 Cl2 108.64(16) 4_665 4_565 ?
 O2 Cs2 Cl3 147.01(16) 4_665 . ?
 O2 Cs2 O16 139.8(2) 4_665 . ?
 O2 Cs2 O19 91.1(2) 4_665 . ?
 O2 Cs2 O21 73.8(2) 4_665 4_665 ?
 O16 Cs2 U1 141.84(15) . 4_665 ?
 O16 Cs2 U4 16.00(15) . . ?
 O16 Cs2 U6 68.07(15) . . ?
 O16 Cs2 Cs1 44.19(15) . . ?
 O16 Cs2 Cs4 126.24(14) . . ?
 O16 Cs2 Cl1 69.30(14) . . ?
 O16 Cs2 Cl2 74.08(16) . 4_565 ?
 O16 Cs2 Cl3 72.97(15) . . ?
 O16 Cs2 O21 144.05(19) . 4_665 ?
 O19 Cs2 U1 107.75(16) . 4_665 ?
 O19 Cs2 U4 68.70(16) . . ?
 O19 Cs2 U6 17.50(16) . . ?
 O19 Cs2 Cs1 112.78(15) . . ?
 O19 Cs2 Cs4 46.56(16) . . ?
 O19 Cs2 Cl1 61.94(15) . . ?
 O19 Cs2 Cl2 157.49(17) . 4_565 ?
 O19 Cs2 Cl3 97.67(16) . . ?
 O19 Cs2 O16 83.9(2) . . ?
 O19 Cs2 O21 113.3(2) . 4_665 ?
 O21 Cs2 U1 65.22(14) 4_665 4_665 ?
 O21 Cs2 U4 144.89(14) 4_665 . ?
 O21 Cs2 U6 121.79(14) 4_665 . ?
 O21 Cs2 Cs1 133.85(14) 4_665 . ?
 O21 Cs2 Cs4 84.15(14) 4_665 . ?
 O21 Cs2 Cl1 146.48(15) 4_665 . ?
 O21 Cs2 Cl3 73.56(15) 4_665 . ?
 Cs1 Cs3 U2 123.08(2) . 2_545 ?
 Cs1 Cs3 Cs4 162.10(3) . 2_645 ?
 Cs4 Cs3 U2 68.121(17) 2_645 2_545 ?
 Cl1 Cs3 U2 131.92(6) . 2_545 ?
 Cl1 Cs3 Cs1 68.31(6) . . ?
 Cl1 Cs3 Cs4 116.24(6) . 2_645 ?
 Cl1 Cs3 Cl2 129.88(8) . 3_656 ?
 Cl1 Cs3 Cl3 132.55(8) . 2_545 ?
 Cl1 Cs3 O11 107.25(12) . 2_545 ?
 Cl2 Cs3 U2 94.24(5) 3_656 2_545 ?
 Cl2 Cs3 Cs1 105.76(5) 3_656 . ?
 Cl2 Cs3 Cs4 57.42(5) 3_656 2_645 ?
 Cl3 Cs3 U2 77.99(6) 2_545 2_545 ?
 Cl3 Cs3 Cs1 64.24(5) 2_545 . ?
 Cl3 Cs3 Cs4 108.84(5) 2_545 2_645 ?
 Cl3 Cs3 Cl2 65.56(7) 2_545 3_656 ?
 Cl3 Cs3 O11 80.52(12) 2_545 2_545 ?
 O8 Cs3 U2 19.32(16) 2_545 2_545 ?
 O8 Cs3 Cs1 138.31(16) 2_545 . ?
 O8 Cs3 Cs4 49.87(16) 2_545 2_645 ?
 O8 Cs3 Cl1 140.10(17) 2_545 . ?
 O8 Cs3 Cl2 78.40(16) 2_545 3_656 ?
 O8 Cs3 Cl3 81.52(17) 2_545 2_545 ?
 O8 Cs3 O9 71.5(2) 2_545 4_665 ?
 O8 Cs3 O11 50.92(19) 2_545 2_545 ?
 O8 Cs3 O12 138.8(2) 2_545 . ?
 O8 Cs3 O13 97.6(2) 2_545 3_656 ?
 O8 Cs3 O20 99.4(2) 2_545 4_565 ?
 O9 Cs3 U2 63.10(14) 4_665 2_545 ?
 O9 Cs3 Cs1 113.37(13) 4_665 . ?
 O9 Cs3 Cs4 83.83(13) 4_665 2_645 ?
 O9 Cs3 Cl1 69.71(15) 4_665 . ?
 O9 Cs3 Cl2 140.83(14) 4_665 3_656 ?
 O9 Cs3 Cl3 131.15(16) 4_665 2_545 ?
 O9 Cs3 O11 50.81(18) 4_665 2_545 ?
 O11 Cs3 U2 31.79(10) 2_545 2_545 ?
 O11 Cs3 Cs1 98.21(11) 2_545 . ?
 O11 Cs3 Cs4 96.71(11) 2_545 2_645 ?
 O11 Cs3 Cl2 122.69(12) 2_545 3_656 ?
 O12 Cs3 U2 145.66(13) . 2_545 ?
 O12 Cs3 Cs1 49.50(13) . . ?
 O12 Cs3 Cs4 112.98(13) . 2_645 ?
 O12 Cs3 Cl1 80.09(14) . . ?
 O12 Cs3 Cl2 63.50(13) . 3_656 ?
 O12 Cs3 Cl3 69.17(14) . 2_545 ?
 O12 Cs3 O9 149.67(19) . 4_665 ?
 O12 Cs3 O11 142.73(17) . 2_545 ?
 O13 Cs3 U2 114.84(14) 3_656 2_545 ?
 O13 Cs3 Cs1 121.89(14) 3_656 . ?
 O13 Cs3 Cs4 47.91(14) 3_656 2_645 ?
 O13 Cs3 Cl1 77.40(14) 3_656 . ?
 O13 Cs3 Cl2 63.97(15) 3_656 3_656 ?
 O13 Cs3 Cl3 128.54(16) 3_656 2_545 ?
 O13 Cs3 O9 95.5(2) 3_656 4_665 ?
 O13 Cs3 O11 137.01(18) 3_656 2_545 ?
 O13 Cs3 O12 80.1(2) 3_656 . ?
 O20 Cs3 U2 80.51(15) 4_565 2_545 ?
 O20 Cs3 Cs1 47.36(15) 4_565 . ?
 O20 Cs3 Cs4 148.08(15) 4_565 2_645 ?
 O20 Cs3 Cl1 80.34(16) 4_565 . ?
 O20 Cs3 Cl2 133.79(15) 4_565 3_656 ?
 O20 Cs3 Cl3 68.46(15) 4_565 2_545 ?
 O20 Cs3 O9 76.65(19) 4_565 4_665 ?
 O20 Cs3 O11 51.42(18) 4_565 2_545 ?
 O20 Cs3 O12 96.10(19) 4_565 . ?
 O20 Cs3 O13 157.7(2) 4_565 3_656 ?
 Cs1 Cs4 U3 109.32(2) 1_655 4_665 ?
 Cs1 Cs4 Cs2 152.72(3) 1_655 . ?
 Cs2 Cs4 U3 88.146(19) . 4_665 ?
 Cs3 Cs4 U3 67.833(17) 2_655 4_665 ?
 Cs3 Cs4 Cs1 100.41(2) 2_655 1_655 ?
 Cs3 Cs4 Cs2 105.66(2) 2_655 . ?
 Cs5 Cs4 U3 118.13(2) . 4_665 ?
 Cs5 Cs4 Cs1 60.523(18) . 1_655 ?
 Cs5 Cs4 Cs2 92.99(2) . . ?
 Cs5 Cs4 Cs3 160.84(3) . 2_655 ?
 Cl2 Cs4 U3 65.82(5) 4_665 4_665 ?
 Cl2 Cs4 Cs1 52.36(5) 4_665 1_655 ?
 Cl2 Cs4 Cs2 152.69(5) 4_665 . ?
 Cl2 Cs4 Cs3 58.13(5) 4_665 2_655 ?
 Cl2 Cs4 Cs5 106.17(5) 4_665 . ?
 O1 Cs4 U3 156.15(15) 1_655 4_665 ?
 O1 Cs4 Cs1 46.85(15) 1_655 1_655 ?
 O1 Cs4 Cs2 114.28(15) 1_655 . ?
 O1 Cs4 Cs3 110.77(14) 1_655 2_655 ?
 O1 Cs4 Cs5 55.77(14) 1_655 . ?
 O1 Cs4 Cl2 92.75(15) 1_655 4_665 ?
 O1 Cs4 O2 127.9(2) 1_655 4_665 ?
 O1 Cs4 O17 85.0(2) 1_655 4_665 ?
 O2 Cs4 U3 62.45(15) 4_665 4_665 ?
 O2 Cs4 Cs1 124.78(14) 4_665 1_655 ?
 O2 Cs4 Cs2 45.02(15) 4_665 . ?
 O2 Cs4 Cs3 120.62(14) 4_665 2_655 ?
 O2 Cs4 Cs5 75.86(14) 4_665 . ?
 O2 Cs4 Cl2 120.65(16) 4_665 4_665 ?
 O2 Cs4 O17 76.42(19) 4_665 4_665 ?
 O8 Cs4 U3 114.61(15) 1_655 4_665 ?
 O8 Cs4 Cs1 83.57(15) 1_655 1_655 ?
 O8 Cs4 Cs2 108.64(15) 1_655 . ?
 O8 Cs4 Cs3 46.82(14) 1_655 2_655 ?
 O8 Cs4 Cs5 123.12(14) 1_655 . ?
 O8 Cs4 Cl2 77.23(16) 1_655 4_665 ?
 O8 Cs4 O1 67.4(2) 1_655 1_655 ?
 O8 Cs4 O2 151.5(2) 1_655 4_665 ?
 O8 Cs4 O17 131.8(2) 1_655 4_665 ?
 O13 Cs4 U3 18.26(16) 4_665 4_665 ?
 O13 Cs4 Cs1 115.99(16) 4_665 1_655 ?
 O13 Cs4 Cs2 87.18(15) 4_665 . ?
 O13 Cs4 Cs3 51.03(16) 4_665 2_655 ?
 O13 Cs4 Cs5 136.39(16) 4_665 . ?
 O13 Cs4 Cl2 65.52(16) 4_665 4_665 ?
 O13 Cs4 O1 156.5(2) 4_665 1_655 ?
 O13 Cs4 O2 73.8(2) 4_665 4_665 ?
 O13 Cs4 O8 97.7(2) 4_665 1_655 ?
 O13 Cs4 O17 93.1(2) 4_665 4_665 ?
 O13 Cs4 O19 117.0(2) 4_665 . ?
 O17 Cs4 U3 76.69(14) 4_665 4_665 ?
 O17 Cs4 Cs1 50.01(13) 4_665 1_655 ?
 O17 Cs4 Cs2 118.71(13) 4_665 . ?
 O17 Cs4 Cs3 121.19(14) 4_665 2_655 ?
 O17 Cs4 Cs5 49.37(14) 4_665 . ?
 O17 Cs4 Cl2 65.08(14) 4_665 4_665 ?
 O19 Cs4 U3 126.97(15) . 4_665 ?
 O19 Cs4 Cs1 123.63(15) . 1_655 ?
 O19 Cs4 Cs2 45.07(15) . . ?
 O19 Cs4 Cs3 97.92(14) . 2_655 ?
 O19 Cs4 Cs5 92.12(14) . . ?
 O19 Cs4 Cl2 148.93(16) . 4_665 ?
 O19 Cs4 O1 76.8(2) . 1_655 ?
 O19 Cs4 O2 87.7(2) . 4_665 ?
 O19 Cs4 O8 71.7(2) . 1_655 ?
 O19 Cs4 O17 140.7(2) . 4_665 ?
 U2 Cs5 U4 55.199(13) 4_665 4_665 ?
 U2 Cs5 U7 140.80(2) 4_665 1_655 ?
 U2 Cs5 Cs2 88.002(19) 4_665 2_645 ?
 U4 Cs5 Cs2 106.40(2) 4_665 2_645 ?
 U7 Cs5 U4 156.43(2) 1_655 4_665 ?
 U7 Cs5 Cs2 64.914(16) 1_655 2_645 ?
 Cs1 Cs5 U2 122.75(2) 1_655 4_665 ?
 Cs1 Cs5 U4 68.242(17) 1_655 4_665 ?
 Cs1 Cs5 U7 91.15(2) 1_655 1_655 ?
 Cs1 Cs5 Cs2 100.59(2) 1_655 2_645 ?
 Cs4 Cs5 U2 98.63(2) . 4_665 ?
 Cs4 Cs5 U4 64.857(18) . 4_665 ?
 Cs4 Cs5 U7 116.11(2) . 1_655 ?
 Cs4 Cs5 Cs1 61.314(18) . 1_655 ?
 Cs4 Cs5 Cs2 161.51(3) . 2_645 ?
 Cl1 Cs5 U2 87.65(6) . 4_665 ?
 Cl1 Cs5 U4 118.02(6) . 4_665 ?
 Cl1 Cs5 U7 83.67(6) . 1_655 ?
 Cl1 Cs5 Cs1 129.74(6) . 1_655 ?
 Cl1 Cs5 Cs2 121.29(6) . 2_645 ?
 Cl1 Cs5 Cs4 76.45(6) . . ?
 Cl1 Cs5 Cl3 166.89(8) . 2_645 ?
 Cl1 Cs5 O1 85.71(14) . 1_655 ?
 Cl3 Cs5 U2 87.05(6) 2_645 4_665 ?
 Cl3 Cs5 U4 67.95(6) 2_645 4_665 ?
 Cl3 Cs5 U7 92.92(6) 2_645 1_655 ?
 Cl3 Cs5 Cs1 62.81(5) 2_645 1_655 ?
 Cl3 Cs5 Cs2 46.54(5) 2_645 2_645 ?
 Cl3 Cs5 Cs4 116.22(6) 2_645 . ?
 O1 Cs5 U2 147.31(13) 1_655 4_665 ?
 O1 Cs5 U4 100.80(14) 1_655 4_665 ?
 O1 Cs5 U7 69.99(13) 1_655 1_655 ?
 O1 Cs5 Cs1 46.40(13) 1_655 1_655 ?
 O1 Cs5 Cs2 122.51(13) 1_655 2_645 ?
 O1 Cs5 Cs4 48.72(13) 1_655 . ?
 O1 Cs5 Cl3 105.07(14) 1_655 2_645 ?
 O9 Cs5 U2 18.97(17) 4_665 4_665 ?
 O9 Cs5 U4 74.06(17) 4_665 4_665 ?
 O9 Cs5 U7 123.79(16) 4_665 1_655 ?
 O9 Cs5 Cs1 141.67(17) 4_665 1_655 ?
 O9 Cs5 Cs2 83.30(14) 4_665 2_645 ?
 O9 Cs5 Cs4 108.27(15) 4_665 . ?
 O9 Cs5 Cl1 74.76(17) 4_665 . ?
 O9 Cs5 Cl3 96.99(17) 4_665 2_645 ?
 O9 Cs5 O1 153.61(19) 4_665 1_655 ?
 O9 Cs5 O17 92.6(2) 4_665 4_665 ?
 O9 Cs5 O21 113.1(2) 4_665 3_656 ?
 O17 Cs5 U2 74.02(14) 4_665 4_665 ?
 O17 Cs5 U4 19.27(14) 4_665 4_665 ?
 O17 Cs5 U7 141.87(14) 4_665 1_655 ?
 O17 Cs5 Cs1 50.77(14) 4_665 1_655 ?
 O17 Cs5 Cs2 114.51(14) 4_665 2_645 ?
 O17 Cs5 Cs4 52.14(14) 4_665 . ?
 O17 Cs5 Cl1 120.18(15) 4_665 . ?
 O17 Cs5 Cl3 69.62(15) 4_665 2_645 ?
 O17 Cs5 O1 81.9(2) 4_665 1_655 ?
 O21 Cs5 U2 126.69(15) 3_656 4_665 ?
 O21 Cs5 U4 146.21(16) 3_656 4_665 ?
 O21 Cs5 U7 19.07(16) 3_656 1_655 ?
 O21 Cs5 Cs1 95.17(15) 3_656 1_655 ?
 O21 Cs5 Cs2 45.86(16) 3_656 2_645 ?
 O21 Cs5 Cs4 133.88(16) 3_656 . ?
 O21 Cs5 Cl1 95.37(17) 3_656 . ?
 O21 Cs5 Cl3 78.31(17) 3_656 2_645 ?
 O21 Cs5 O1 85.8(2) 3_656 1_655 ?
 O21 Cs5 O17 141.0(2) 3_656 4_665 ?
 U5 Cl1 Cs1 106.29(10) . . ?
 U5 Cl1 Cs2 117.07(10) . . ?
 U5 Cl1 Cs3 111.45(10) . . ?
 U5 Cl1 Cs5 105.51(11) . . ?
 Cs2 Cl1 Cs1 64.74(5) . . ?
 Cs3 Cl1 Cs1 61.29(6) . . ?
 Cs3 Cl1 Cs2 114.49(9) . . ?
 Cs5 Cl1 Cs1 144.81(10) . . ?
 Cs5 Cl1 Cs2 112.30(9) . . ?
 Cs5 Cl1 Cs3 93.10(8) . . ?
 U5 Cl2 Cs1 115.84(9) . 4_666 ?
 U5 Cl2 Cs2 101.22(9) . 4_666 ?
 U5 Cl2 Cs3 121.68(9) . 3_656 ?
 U5 Cl2 Cs4 121.17(10) . 4_566 ?
 Cs1 Cl2 Cs3 118.78(9) 4_666 3_656 ?
 Cs1 Cl2 Cs4 69.50(6) 4_666 4_566 ?
 Cs2 Cl2 Cs1 77.43(7) 4_666 4_666 ?
 Cs2 Cl2 Cs3 108.83(8) 4_666 3_656 ?
 Cs2 Cl2 Cs4 134.23(10) 4_666 4_566 ?
 Cs4 Cl2 Cs3 64.46(5) 4_566 3_656 ?
 U8 Cl3 Cs1 120.65(10) . 2 ?
 U8 Cl3 Cs2 103.18(9) . . ?
 U8 Cl3 Cs3 116.12(11) . 2 ?
 U8 Cl3 Cs5 106.66(10) . 2_655 ?
 Cs2 Cl3 Cs1 133.17(10) . 2 ?
 Cs2 Cl3 Cs3 113.48(9) . 2 ?
 Cs2 Cl3 Cs5 86.49(8) . 2_655 ?
 Cs3 Cl3 Cs1 62.73(5) 2 2 ?
 Cs5 Cl3 Cs1 66.87(6) 2_655 2 ?
 Cs5 Cl3 Cs3 125.32(9) 2_655 2 ?
 U1 O1 Cs1 124.6(3) . . ?
 U1 O1 Cs4 140.9(3) . 1_455 ?
 U1 O1 Cs5 130.3(3) . 1_455 ?
 Cs1 O1 Cs4 84.7(2) . 1_455 ?
 Cs1 O1 Cs5 78.77(18) . 1_455 ?
 Cs4 O1 Cs5 75.51(18) 1_455 1_455 ?
 U1 O2 Cs2 134.7(4) . 4_566 ?
 U1 O2 Cs4 131.7(4) . 4_566 ?
 Cs2 O2 Cs4 87.9(2) 4_566 4_566 ?
 U1 O3 U3 109.7(3) . . ?
 U7 O3 U1 136.2(3) . . ?
 U7 O3 U3 113.0(3) . . ?
 U1 O4 Cs1 88.8(2) . . ?
 U3 O4 U1 105.2(3) . . ?
 U3 O4 U4 152.2(3) . . ?
 U3 O4 Cs1 91.5(2) . . ?
 U4 O4 U1 102.6(2) . . ?
 U4 O4 Cs1 91.1(2) . . ?
 U1 O5 U2 110.4(3) . . ?
 U4 O5 U1 115.5(3) . . ?
 U4 O5 U2 131.3(3) . . ?
 U1 O6 U2 110.5(3) . . ?
 U6 O6 U1 135.7(3) 1_455 . ?
 U6 O6 U2 112.5(3) 1_455 . ?
 U1 O7 U6 94.3(2) . 1_455 ?
 U5 O7 U1 160.8(4) 1_455 . ?
 U5 O7 U6 104.1(3) 1_455 1_455 ?
 U2 O8 Cs3 128.2(3) . 2 ?
 U2 O8 Cs4 143.1(4) . 1_455 ?
 Cs3 O8 Cs4 83.3(2) 2 1_455 ?
 U2 O9 Cs3 123.3(3) . 4_566 ?
 U2 O9 Cs5 129.7(4) . 4_566 ?
 Cs5 O9 Cs3 105.2(3) 4_566 4_566 ?
 U2 O10 U4 98.7(2) . . ?
 U8 O10 U2 154.8(4) . . ?
 U8 O10 U4 105.1(3) . . ?
 U2 O11 U2 103.6(3) . 3_566 ?
 U2 O11 Cs3 91.3(3) . 2 ?
 U2 O11 Cs3 96.9(3) 3_566 2 ?
 U6 O11 U2 149.1(3) 3_666 . ?
 U6 O11 U2 106.2(3) 3_666 3_566 ?
 U6 O11 Cs3 93.5(3) 3_666 2 ?
 U3 O12 Cs1 122.7(3) . . ?
 U3 O12 Cs3 141.5(3) . . ?
 Cs1 O12 Cs3 77.66(19) . . ?
 U3 O13 Cs3 141.0(4) . 3_656 ?
 U3 O13 Cs4 130.8(3) . 4_566 ?
 Cs4 O13 Cs3 81.1(2) 4_566 3_656 ?
 U5 O14 U3 115.2(3) 3_656 . ?
 U5 O14 U7 141.1(3) 3_656 . ?
 U7 O14 U3 103.3(3) . . ?
 U3 O15 U3 110.0(2) 3_656 . ?
 U5 O15 U3 104.4(3) 3_656 . ?
 U5 O15 U3 144.8(3) 3_656 3_656 ?
 U4 O16 Cs1 128.1(3) . . ?
 U4 O16 Cs2 135.6(3) . . ?
 Cs1 O16 Cs2 89.0(2) . . ?
 U4 O17 Cs1 142.6(4) . 4_666 ?
 U4 O17 Cs4 125.8(3) . 4_566 ?
 U4 O17 Cs5 126.7(3) . 4_566 ?
 Cs1 O17 Cs4 79.82(19) 4_666 4_566 ?
 Cs5 O17 Cs1 80.95(19) 4_566 4_666 ?
 Cs5 O17 Cs4 78.49(19) 4_566 4_566 ?
 U4 O18 U6 107.6(2) . . ?
 U5 O18 U4 140.3(3) . . ?
 U5 O18 U6 112.0(3) . . ?
 U6 O19 Cs2 132.9(4) . . ?
 U6 O19 Cs4 138.7(4) . . ?
 Cs2 O19 Cs4 88.4(2) . . ?
 U6 O20 Cs1 152.4(4) . 4_666 ?
 U6 O20 Cs3 122.8(3) . 4_666 ?
 Cs1 O20 Cs3 80.9(2) 4_666 4_666 ?
 U7 O21 Cs2 136.3(4) . 4_566 ?
 U7 O21 Cs5 128.8(4) . 3_656 ?
 Cs5 O21 Cs2 94.9(2) 3_656 4_566 ?
 U6 O22 U4 108.9(3) 3_666 3_666 ?
 U8 O22 U4 109.1(3) . 3_666 ?
 U8 O22 U6 140.4(3) . 3_666 ?

#===END

data_RbUO3Cl 
  
_audit_creation_method            SHELXL-2013 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety 
 'Cl O3 Rb U' 
_chemical_formula_sum 
 'Cl O3 Rb U' 
_chemical_formula_weight          406.95 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cl'  'Cl'   0.1484   0.1585 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Rb'  'Rb'  -0.9393   2.9676 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'U'  'U'  -9.6767   9.6646 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_space_group_crystal_system       monoclinic 
_space_group_IT_number            11 
_space_group_name_H-M_alt         'P 21/m' 
_space_group_name_Hall            '-P 2yb' 
  
_shelx_space_group_comment 
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
; 
  
loop_ 
 _space_group_symop_operation_xyz 
 'x, y, z' 
 '-x, y+1/2, -z' 
 '-x, -y, -z' 
 'x, -y-1/2, z' 
  
_cell_length_a                    7.3602(6) 
_cell_length_b                    4.1127(3) 
_cell_length_c                    8.5556(7) 
_cell_angle_alpha                 90 
_cell_angle_beta                  104.602(2) 
_cell_angle_gamma                 90 
_cell_volume                      250.62(3) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     296(2) 
_cell_measurement_reflns_used     1718 
_cell_measurement_theta_min       2.460 
_cell_measurement_theta_max       29.980 
  
_exptl_crystal_description        needle 
_exptl_crystal_colour             yellow 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     ? 
_exptl_crystal_density_diffrn     5.393 
_exptl_crystal_F_000              340 
_exptl_crystal_size_max           0.100 
_exptl_crystal_size_mid           0.030 
_exptl_crystal_size_min           0.020 
_exptl_absorpt_coefficient_mu     42.436 
_shelx_estimated_absorpt_T_min    0.101 
_shelx_estimated_absorpt_T_max    0.484 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.3987 
_exptl_absorpt_correction_T_max   1.0000 
_exptl_absorpt_process_details    'SADABS Version 2.05 (Bruker, 2001)' 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       296(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_source                    'sealed tube' 
_diffrn_measurement_device_type   'Bruker SMART APEX CCD diffractometer' 
_diffrn_measurement_method        'omega and phi scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_reflns_number             4675 
_diffrn_reflns_av_unetI/netI      0.0277 
_diffrn_reflns_av_R_equivalents   0.0374 
_diffrn_reflns_limit_h_min        -10 
_diffrn_reflns_limit_h_max        10 
_diffrn_reflns_limit_k_min        -5 
_diffrn_reflns_limit_k_max        5 
_diffrn_reflns_limit_l_min        -11 
_diffrn_reflns_limit_l_max        12 
_diffrn_reflns_theta_min          2.460 
_diffrn_reflns_theta_max          30.031 
_diffrn_reflns_theta_full         25.242 
_diffrn_measured_fraction_theta_max   1.000 
_diffrn_measured_fraction_theta_full  1.000 
_diffrn_reflns_Laue_measured_fraction_max    1.000 
_diffrn_reflns_Laue_measured_fraction_full   1.000 
_diffrn_reflns_point_group_measured_fraction_max   1.000 
_diffrn_reflns_point_group_measured_fraction_full  1.000 
_reflns_number_total              827 
_reflns_number_gt                 774 
_reflns_threshold_expression      'I > 2σ(I)' 
  
_reflns_special_details 
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
; 
  
_computing_data_collection        'SMART Version 5.631 (Bruker, 2001)' 
_computing_cell_refinement        'SAINT-Plus Version 6.45 (Bruker, 2001)' 
_computing_data_reduction         'SAINT-Plus Version 6.45 (Bruker, 2001)' 
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)' 
_computing_structure_refinement   'SHELXL-2013 (Sheldrick, 2013)' 
_computing_molecular_graphics     various 
_computing_publication_material   various 
  
_refine_special_details 
; 
 ? 
; 
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
'w=1/[σ²(Fo²)+(0.0295P)²+3.3061P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      ? 
_atom_sites_solution_secondary    ? 
_atom_sites_solution_hydrogens    . 
_refine_ls_hydrogen_treatment     undef 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        . 
_refine_ls_number_reflns          827 
_refine_ls_number_parameters      37 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0357 
_refine_ls_R_factor_gt            0.0316 
_refine_ls_wR_factor_ref          0.0699 
_refine_ls_wR_factor_gt           0.0685 
_refine_ls_goodness_of_fit_ref    1.181 
_refine_ls_restrained_S_all       1.181 
_refine_ls_shift/su_max           0.000 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_site_symmetry_order 
 _atom_site_calc_flag 
 _atom_site_refinement_flags_posn 
 _atom_site_refinement_flags_adp 
 _atom_site_refinement_flags_occupancy 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
U1 U 0.37980(5) 0.2500 0.32471(5) 0.01153(13) Uani 1 2 d S T P . . 
Rb1 Rb 0.14581(17) 0.2500 0.74959(16) 0.0247(3) Uani 1 2 d S T P . . 
Cl1 Cl 0.7825(4) 0.2500 0.9221(4) 0.0225(6) Uani 1 2 d S T P . . 
O1 O 0.5511(12) 0.2500 0.5847(11) 0.0219(18) Uani 1 2 d S T P . . 
O2 O 0.1592(12) 0.2500 0.3816(11) 0.0214(18) Uani 1 2 d S T P . . 
O3 O 0.5904(12) 0.2500 0.2490(11) 0.0233(19) Uani 1 2 d S T P . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
U1 O2 1.808(8) . ? 
U1 O3 1.824(8) . ? 
U1 O1 2.211(3) 3_666 ? 
U1 O1 2.211(3) 3_656 ? 
U1 O1 2.264(8) . ? 
U1 Cl1 2.974(2) 3_656 ? 
U1 Cl1 2.974(2) 3_666 ? 
U1 U1 3.6987(7) 3_666 ? 
U1 U1 3.6987(7) 3_656 ? 
U1 Rb1 4.2359(11) 3_666 ? 
U1 Rb1 4.2359(11) 3_656 ? 
U1 Rb1 4.2847(11) 3_556 ? 
Rb1 O3 2.826(6) 3_666 ? 
Rb1 O3 2.826(6) 3_656 ? 
Rb1 O2 3.043(6) 3_556 ? 
Rb1 O2 3.043(6) 3_566 ? 
Rb1 O2 3.175(9) . ? 
Rb1 Cl1 3.365(3) 1_455 ? 
Rb1 Cl1 3.413(3) 3_667 ? 
Rb1 Cl1 3.413(3) 3_657 ? 
Rb1 O1 3.607(10) . ? 
Rb1 Rb1 4.1127(3) 1_565 ? 
Rb1 Rb1 4.1127(3) 1_545 ? 
Rb1 U1 4.2359(11) 3_666 ? 
Cl1 U1 2.974(2) 3_656 ? 
Cl1 U1 2.974(2) 3_666 ? 
Cl1 Rb1 3.365(3) 1_655 ? 
Cl1 Rb1 3.413(3) 3_667 ? 
Cl1 Rb1 3.413(3) 3_657 ? 
O1 U1 2.211(3) 3_666 ? 
O1 U1 2.211(3) 3_656 ? 
O2 Rb1 3.043(6) 3_556 ? 
O2 Rb1 3.043(6) 3_566 ? 
O3 Rb1 2.826(6) 3_666 ? 
O3 Rb1 2.826(6) 3_656 ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O2 U1 O3 175.0(4) . . ? 
O2 U1 O1 92.8(3) . 3_666 ? 
O3 U1 O1 89.1(3) . 3_666 ? 
O2 U1 O1 92.8(3) . 3_656 ? 
O3 U1 O1 89.1(3) . 3_656 ? 
O1 U1 O1 136.9(4) 3_666 3_656 ? 
O2 U1 O1 92.9(4) . . ? 
O3 U1 O1 92.1(4) . . ? 
O1 U1 O1 68.5(2) 3_666 . ? 
O1 U1 O1 68.5(2) 3_656 . ? 
O2 U1 Cl1 87.9(2) . 3_656 ? 
O3 U1 Cl1 88.4(2) . 3_656 ? 
O1 U1 Cl1 155.2(2) 3_666 3_656 ? 
O1 U1 Cl1 67.8(2) 3_656 3_656 ? 
O1 U1 Cl1 136.25(4) . 3_656 ? 
O2 U1 Cl1 87.9(2) . 3_666 ? 
O3 U1 Cl1 88.4(2) . 3_666 ? 
O1 U1 Cl1 67.8(2) 3_666 3_666 ? 
O1 U1 Cl1 155.2(2) 3_656 3_666 ? 
O1 U1 Cl1 136.25(4) . 3_666 ? 
Cl1 U1 Cl1 87.50(8) 3_656 3_666 ? 
O2 U1 U1 93.5(2) . 3_666 ? 
O3 U1 U1 90.7(3) . 3_666 ? 
O1 U1 U1 34.7(2) 3_666 3_666 ? 
O1 U1 U1 102.2(2) 3_656 3_666 ? 
O1 U1 U1 33.797(11) . 3_666 ? 
Cl1 U1 U1 169.98(4) 3_656 3_666 ? 
Cl1 U1 U1 102.46(4) 3_666 3_666 ? 
O2 U1 U1 93.5(2) . 3_656 ? 
O3 U1 U1 90.7(3) . 3_656 ? 
O1 U1 U1 102.2(2) 3_666 3_656 ? 
O1 U1 U1 34.7(2) 3_656 3_656 ? 
O1 U1 U1 33.797(11) . 3_656 ? 
Cl1 U1 U1 102.46(4) 3_656 3_656 ? 
Cl1 U1 U1 169.98(4) 3_666 3_656 ? 
U1 U1 U1 67.555(15) 3_666 3_656 ? 
O2 U1 Rb1 150.48(5) . 3_666 ? 
O3 U1 Rb1 30.74(10) . 3_666 ? 
O1 U1 Rb1 58.4(2) 3_666 3_666 ? 
O1 U1 Rb1 112.2(2) 3_656 3_666 ? 
O1 U1 Rb1 82.6(2) . 3_666 ? 
Cl1 U1 Rb1 115.33(6) 3_656 3_666 ? 
Cl1 U1 Rb1 75.90(6) 3_666 3_666 ? 
U1 U1 Rb1 66.91(2) 3_666 3_666 ? 
U1 U1 Rb1 98.49(2) 3_656 3_666 ? 
O2 U1 Rb1 150.48(5) . 3_656 ? 
O3 U1 Rb1 30.74(9) . 3_656 ? 
O1 U1 Rb1 112.2(2) 3_666 3_656 ? 
O1 U1 Rb1 58.4(2) 3_656 3_656 ? 
O1 U1 Rb1 82.6(2) . 3_656 ? 
Cl1 U1 Rb1 75.90(6) 3_656 3_656 ? 
Cl1 U1 Rb1 115.33(6) 3_666 3_656 ? 
U1 U1 Rb1 98.49(2) 3_666 3_656 ? 
U1 U1 Rb1 66.914(19) 3_656 3_656 ? 
Rb1 U1 Rb1 58.085(17) 3_666 3_656 ? 
O2 U1 Rb1 37.03(18) . 3_556 ? 
O3 U1 Rb1 139.8(2) . 3_556 ? 
O1 U1 Rb1 128.1(2) 3_666 3_556 ? 
O1 U1 Rb1 74.0(2) 3_656 3_556 ? 
O1 U1 Rb1 113.8(2) . 3_556 ? 
Cl1 U1 Rb1 51.45(6) 3_656 3_556 ? 
Cl1 U1 Rb1 92.33(6) 3_666 3_556 ? 
U1 U1 Rb1 128.07(2) 3_666 3_556 ? 
U1 U1 Rb1 94.757(18) 3_656 3_556 ? 
Rb1 U1 Rb1 163.39(4) 3_666 3_556 ? 
Rb1 U1 Rb1 119.493(11) 3_656 3_556 ? 
O3 Rb1 O3 93.4(2) 3_666 3_656 ? 
O3 Rb1 O2 159.3(3) 3_666 3_556 ? 
O3 Rb1 O2 87.26(18) 3_656 3_556 ? 
O3 Rb1 O2 87.26(18) 3_666 3_566 ? 
O3 Rb1 O2 159.3(3) 3_656 3_566 ? 
O2 Rb1 O2 85.0(2) 3_556 3_566 ? 
O3 Rb1 O2 79.1(2) 3_666 . ? 
O3 Rb1 O2 79.1(2) 3_656 . ? 
O2 Rb1 O2 80.7(2) 3_556 . ? 
O2 Rb1 O2 80.7(2) 3_566 . ? 
O3 Rb1 Cl1 128.27(14) 3_666 1_455 ? 
O3 Rb1 Cl1 128.27(14) 3_656 1_455 ? 
O2 Rb1 Cl1 64.38(16) 3_556 1_455 ? 
O2 Rb1 Cl1 64.38(16) 3_566 1_455 ? 
O2 Rb1 Cl1 131.45(16) . 1_455 ? 
O3 Rb1 Cl1 66.08(18) 3_666 3_667 ? 
O3 Rb1 Cl1 118.1(2) 3_656 3_667 ? 
O2 Rb1 Cl1 131.10(17) 3_556 3_667 ? 
O2 Rb1 Cl1 80.97(16) 3_566 3_667 ? 
O2 Rb1 Cl1 141.18(6) . 3_667 ? 
Cl1 Rb1 Cl1 67.30(8) 1_455 3_667 ? 
O3 Rb1 Cl1 118.1(2) 3_666 3_657 ? 
O3 Rb1 Cl1 66.08(18) 3_656 3_657 ? 
O2 Rb1 Cl1 80.97(16) 3_556 3_657 ? 
O2 Rb1 Cl1 131.10(17) 3_566 3_657 ? 
O2 Rb1 Cl1 141.18(6) . 3_657 ? 
Cl1 Rb1 Cl1 67.30(8) 1_455 3_657 ? 
Cl1 Rb1 Cl1 74.10(7) 3_667 3_657 ? 
O3 Rb1 O1 50.70(14) 3_666 . ? 
O3 Rb1 O1 50.70(14) 3_656 . ? 
O2 Rb1 O1 117.51(18) 3_556 . ? 
O2 Rb1 O1 117.51(18) 3_566 . ? 
O2 Rb1 O1 51.4(2) . . ? 
Cl1 Rb1 O1 177.12(15) 1_455 . ? 
Cl1 Rb1 O1 110.50(12) 3_667 . ? 
Cl1 Rb1 O1 110.50(12) 3_657 . ? 
O3 Rb1 Rb1 43.32(12) 3_666 1_565 ? 
O3 Rb1 Rb1 136.68(13) 3_656 1_565 ? 
O2 Rb1 Rb1 132.52(11) 3_556 1_565 ? 
O2 Rb1 Rb1 47.48(11) 3_566 1_565 ? 
O2 Rb1 Rb1 90.000(1) . 1_565 ? 
Cl1 Rb1 Rb1 90.0 1_455 1_565 ? 
Cl1 Rb1 Rb1 52.95(3) 3_667 1_565 ? 
Cl1 Rb1 Rb1 127.05(3) 3_657 1_565 ? 
O1 Rb1 Rb1 90.0 . 1_565 ? 
O3 Rb1 Rb1 136.68(12) 3_666 1_545 ? 
O3 Rb1 Rb1 43.32(13) 3_656 1_545 ? 
O2 Rb1 Rb1 47.48(11) 3_556 1_545 ? 
O2 Rb1 Rb1 132.52(11) 3_566 1_545 ? 
O2 Rb1 Rb1 90.000(1) . 1_545 ? 
Cl1 Rb1 Rb1 90.0 1_455 1_545 ? 
Cl1 Rb1 Rb1 127.05(3) 3_667 1_545 ? 
Cl1 Rb1 Rb1 52.95(3) 3_657 1_545 ? 
O1 Rb1 Rb1 90.0 . 1_545 ? 
Rb1 Rb1 Rb1 180.0 1_565 1_545 ? 
O3 Rb1 U1 19.26(13) 3_666 3_666 ? 
O3 Rb1 U1 76.25(13) 3_656 3_666 ? 
O2 Rb1 U1 146.33(17) 3_556 3_666 ? 
O2 Rb1 U1 100.14(12) 3_566 3_666 ? 
O2 Rb1 U1 67.56(13) . 3_666 ? 
Cl1 Rb1 U1 147.37(3) 1_455 3_666 ? 
Cl1 Rb1 U1 82.45(5) 3_667 3_666 ? 
Cl1 Rb1 U1 116.98(6) 3_657 3_666 ? 
O1 Rb1 U1 31.47(5) . 3_666 ? 
Rb1 Rb1 U1 60.957(8) 1_565 3_666 ? 
Rb1 Rb1 U1 119.042(8) 1_545 3_666 ? 
U1 Cl1 U1 87.50(8) 3_656 3_666 ? 
U1 Cl1 Rb1 84.82(7) 3_656 1_655 ? 
U1 Cl1 Rb1 84.82(7) 3_666 1_655 ? 
U1 Cl1 Rb1 162.21(11) 3_656 3_667 ? 
U1 Cl1 Rb1 96.83(3) 3_666 3_667 ? 
Rb1 Cl1 Rb1 112.70(8) 1_655 3_667 ? 
U1 Cl1 Rb1 96.83(3) 3_656 3_657 ? 
U1 Cl1 Rb1 162.21(11) 3_666 3_657 ? 
Rb1 Cl1 Rb1 112.70(8) 1_655 3_657 ? 
Rb1 Cl1 Rb1 74.10(7) 3_667 3_657 ? 
U1 O1 U1 136.9(4) 3_666 3_656 ? 
U1 O1 U1 111.5(2) 3_666 . ? 
U1 O1 U1 111.5(2) 3_656 . ? 
U1 O1 Rb1 90.2(3) 3_666 . ? 
U1 O1 Rb1 90.2(3) 3_656 . ? 
U1 O1 Rb1 94.2(3) . . ? 
U1 O2 Rb1 122.0(3) . 3_556 ? 
U1 O2 Rb1 122.0(3) . 3_566 ? 
Rb1 O2 Rb1 85.0(2) 3_556 3_566 ? 
U1 O2 Rb1 121.4(4) . . ? 
Rb1 O2 Rb1 99.3(2) 3_556 . ? 
Rb1 O2 Rb1 99.3(2) 3_566 . ? 
U1 O3 Rb1 130.00(18) . 3_666 ? 
U1 O3 Rb1 130.00(18) . 3_656 ? 
Rb1 O3 Rb1 93.4(2) 3_666 3_656 ? 
  
#===END

data_CsUO3Cl 
  
_audit_creation_method            SHELXL-2013 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety 
 'Cl Cs O3 U' 
_chemical_formula_sum 
 'Cl Cs O3 U' 
_chemical_formula_weight          454.39 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cl'  'Cl'   0.1484   0.1585 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cs'  'Cs'  -0.3680   2.1192 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'U'  'U'  -9.6767   9.6646 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_space_group_crystal_system       monoclinic 
_space_group_IT_number            11 
_space_group_name_H-M_alt         'P 21/m' 
_space_group_name_Hall            '-P 2yb' 
  
_shelx_space_group_comment 
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
; 
  
loop_ 
 _space_group_symop_operation_xyz 
 'x, y, z' 
 '-x, y+1/2, -z' 
 '-x, -y, -z' 
 'x, -y-1/2, z' 
  
_cell_length_a                    7.7768(4) 
_cell_length_b                    4.1245(2) 
_cell_length_c                    8.7701(5) 
_cell_angle_alpha                 90 
_cell_angle_beta                  105.4680(10) 
_cell_angle_gamma                 90 
_cell_volume                      271.12(2) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     296(2) 
_cell_measurement_reflns_used     2820 
_cell_measurement_theta_min       2.410 
_cell_measurement_theta_max       31.128 
  
_exptl_crystal_description        needle 
_exptl_crystal_colour             yellow 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     ? 
_exptl_crystal_density_diffrn     5.566 
_exptl_crystal_F_000              376 
_exptl_crystal_size_max           0.160 
_exptl_crystal_size_mid           0.030 
_exptl_crystal_size_min           0.020 
_exptl_absorpt_coefficient_mu     36.926 
_shelx_estimated_absorpt_T_min    0.067 
_shelx_estimated_absorpt_T_max    0.525 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.2855 
_exptl_absorpt_correction_T_max   1.0000 
_exptl_absorpt_process_details    'SADABS Version 2.05 (Bruker, 2001)' 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       296(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_source                    'sealed tube' 
_diffrn_measurement_device_type   'Bruker SMART APEX CCD diffractometer' 
_diffrn_measurement_method        'omega and phi scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_reflns_number             1108 
_diffrn_reflns_av_unetI/netI      0.0252 
_diffrn_reflns_av_R_equivalents   0.0437 
_diffrn_reflns_limit_h_min        -11 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -6 
_diffrn_reflns_limit_k_max        6 
_diffrn_reflns_limit_l_min        -5 
_diffrn_reflns_limit_l_max        13 
_diffrn_reflns_theta_min          2.410 
_diffrn_reflns_theta_max          32.565 
_diffrn_reflns_theta_full         25.242 
_diffrn_measured_fraction_theta_max   1.000 
_diffrn_measured_fraction_theta_full  1.000 
_diffrn_reflns_Laue_measured_fraction_max    1.000 
_diffrn_reflns_Laue_measured_fraction_full   1.000 
_diffrn_reflns_point_group_measured_fraction_max   1.000 
_diffrn_reflns_point_group_measured_fraction_full  1.000 
_reflns_number_total              1108 
_reflns_number_gt                 1038 
_reflns_threshold_expression      'I > 2σ(I)' 
  
_reflns_special_details 
; 
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
; 
  
_computing_data_collection        'SMART Version 5.631 (Bruker, 2001)' 
_computing_cell_refinement        'SAINT-Plus Version 6.45 (Bruker, 2001)' 
_computing_data_reduction         'SAINT-Plus Version 6.45 (Bruker, 2001)' 
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)' 
_computing_structure_refinement   'SHELXL-2013 (Sheldrick, 2013)' 
_computing_molecular_graphics     various 
_computing_publication_material   various 
  
_refine_special_details 
; 
 Refined as a 2-component twin. 
; 
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
'w=1/[σ²(Fo²)+(0.0296P)²+0.4643P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      ? 
_atom_sites_solution_secondary    ? 
_atom_sites_solution_hydrogens    . 
_refine_ls_hydrogen_treatment     undef 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        . 
_refine_ls_number_reflns          1108 
_refine_ls_number_parameters      38 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0289 
_refine_ls_R_factor_gt            0.0256 
_refine_ls_wR_factor_ref          0.0575 
_refine_ls_wR_factor_gt           0.0563 
_refine_ls_goodness_of_fit_ref    1.079 
_refine_ls_restrained_S_all       1.079 
_refine_ls_shift/su_max           0.000 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_site_symmetry_order 
 _atom_site_calc_flag 
 _atom_site_refinement_flags_posn 
 _atom_site_refinement_flags_adp 
 _atom_site_refinement_flags_occupancy 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
U1 U 0.38019(3) 0.2500 0.32951(3) 0.01750(8) Uani 1 2 d S T P . . 
Cs1 Cs 0.14976(7) 0.2500 0.75245(7) 0.02925(12) Uani 1 2 d S T P . . 
Cl1 Cl 0.7827(3) 0.2500 0.9113(2) 0.0282(4) Uani 1 2 d S T P . . 
O1 O 0.5535(8) 0.2500 0.5825(7) 0.0273(12) Uani 1 2 d S T P . . 
O2 O 0.1740(8) 0.2500 0.3883(8) 0.0287(12) Uani 1 2 d S T P . . 
O3 O 0.5708(8) 0.2500 0.2493(8) 0.0325(13) Uani 1 2 d S T P . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
U1 O3 1.802(6) . ? 
U1 O2 1.810(6) . ? 
U1 O1 2.214(2) 3_666 ? 
U1 O1 2.214(2) 3_656 ? 
U1 O1 2.268(6) . ? 
U1 Cl1 2.9817(14) 3_656 ? 
U1 Cl1 2.9817(14) 3_666 ? 
U1 U1 3.7007(5) 3_666 ? 
U1 U1 3.7007(4) 3_656 ? 
U1 Cs1 4.4197(5) 3_666 ? 
U1 Cs1 4.4197(5) 3_656 ? 
U1 Cs1 4.4916(5) 3_556 ? 
Cs1 O3 2.999(4) 3_666 ? 
Cs1 O3 2.999(4) 3_656 ? 
Cs1 O2 3.234(4) 3_556 ? 
Cs1 O2 3.234(4) 3_566 ? 
Cs1 O2 3.249(7) . ? 
Cs1 Cl1 3.494(2) 1_455 ? 
Cs1 Cl1 3.5212(17) 3_667 ? 
Cs1 Cl1 3.5212(17) 3_657 ? 
Cs1 Cs1 4.1245(2) 1_545 ? 
Cs1 Cs1 4.12450(19) 1_565 ? 
Cs1 U1 4.4197(5) 3_666 ? 
Cs1 U1 4.4197(5) 3_656 ? 
Cl1 U1 2.9818(14) 3_656 ? 
Cl1 U1 2.9818(14) 3_666 ? 
Cl1 Cs1 3.494(2) 1_655 ? 
Cl1 Cs1 3.5212(17) 3_667 ? 
Cl1 Cs1 3.5212(17) 3_657 ? 
O1 U1 2.214(2) 3_666 ? 
O1 U1 2.214(2) 3_656 ? 
O2 Cs1 3.234(4) 3_556 ? 
O2 Cs1 3.234(4) 3_566 ? 
O3 Cs1 2.999(4) 3_666 ? 
O3 Cs1 2.999(4) 3_656 ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O3 U1 O2 173.8(3) . . ? 
O3 U1 O1 89.80(19) . 3_666 ? 
O2 U1 O1 92.43(18) . 3_666 ? 
O3 U1 O1 89.80(19) . 3_656 ? 
O2 U1 O1 92.43(18) . 3_656 ? 
O1 U1 O1 137.3(3) 3_666 3_656 ? 
O3 U1 O1 92.6(3) . . ? 
O2 U1 O1 93.5(3) . . ? 
O1 U1 O1 68.70(14) 3_666 . ? 
O1 U1 O1 68.70(14) 3_656 . ? 
O3 U1 Cl1 87.82(17) . 3_656 ? 
O2 U1 Cl1 87.74(15) . 3_656 ? 
O1 U1 Cl1 155.03(15) 3_666 3_656 ? 
O1 U1 Cl1 67.55(15) 3_656 3_656 ? 
O1 U1 Cl1 136.24(3) . 3_656 ? 
O3 U1 Cl1 87.82(17) . 3_666 ? 
O2 U1 Cl1 87.74(15) . 3_666 ? 
O1 U1 Cl1 67.55(15) 3_666 3_666 ? 
O1 U1 Cl1 155.03(15) 3_656 3_666 ? 
O1 U1 Cl1 136.24(3) . 3_666 ? 
Cl1 U1 Cl1 87.52(5) 3_656 3_666 ? 
O3 U1 U1 91.49(19) . 3_666 ? 
O2 U1 U1 93.62(17) . 3_666 ? 
O1 U1 U1 34.82(14) 3_666 3_666 ? 
O1 U1 U1 102.54(14) 3_656 3_666 ? 
O1 U1 U1 33.875(6) . 3_666 ? 
Cl1 U1 U1 170.06(3) 3_656 3_666 ? 
Cl1 U1 U1 102.37(3) 3_666 3_666 ? 
O3 U1 U1 91.49(19) . 3_656 ? 
O2 U1 U1 93.62(17) . 3_656 ? 
O1 U1 U1 102.54(14) 3_666 3_656 ? 
O1 U1 U1 34.82(14) 3_656 3_656 ? 
O1 U1 U1 33.875(6) . 3_656 ? 
Cl1 U1 U1 102.37(3) 3_656 3_656 ? 
Cl1 U1 U1 170.06(3) 3_666 3_656 ? 
U1 U1 U1 67.733(10) 3_666 3_656 ? 
O3 U1 Cs1 30.06(8) . 3_666 ? 
O2 U1 Cs1 151.65(4) . 3_666 ? 
O1 U1 Cs1 59.74(17) 3_666 3_666 ? 
O1 U1 Cs1 111.43(15) 3_656 3_666 ? 
O1 U1 Cs1 81.82(14) . 3_666 ? 
Cl1 U1 Cs1 114.90(4) 3_656 3_666 ? 
Cl1 U1 Cs1 77.04(4) 3_666 3_666 ? 
U1 U1 Cs1 67.130(9) 3_666 3_666 ? 
U1 U1 Cs1 97.550(11) 3_656 3_666 ? 
O3 U1 Cs1 30.06(8) . 3_656 ? 
O2 U1 Cs1 151.65(4) . 3_656 ? 
O1 U1 Cs1 111.43(15) 3_666 3_656 ? 
O1 U1 Cs1 59.74(17) 3_656 3_656 ? 
O1 U1 Cs1 81.82(14) . 3_656 ? 
Cl1 U1 Cs1 77.04(4) 3_656 3_656 ? 
Cl1 U1 Cs1 114.90(4) 3_666 3_656 ? 
U1 U1 Cs1 97.550(11) 3_666 3_656 ? 
U1 U1 Cs1 67.130(10) 3_656 3_656 ? 
Cs1 U1 Cs1 55.628(7) 3_666 3_656 ? 
O3 U1 Cs1 138.82(16) . 3_556 ? 
O2 U1 Cs1 36.98(13) . 3_556 ? 
O1 U1 Cs1 127.01(15) 3_666 3_556 ? 
O1 U1 Cs1 75.32(14) 3_656 3_556 ? 
O1 U1 Cs1 115.91(14) . 3_556 ? 
Cl1 U1 Cs1 51.00(4) 3_656 3_556 ? 
Cl1 U1 Cs1 90.33(4) 3_666 3_556 ? 
U1 U1 Cs1 128.900(12) 3_666 3_556 ? 
U1 U1 Cs1 96.676(9) 3_656 3_556 ? 
Cs1 U1 Cs1 162.101(16) 3_666 3_556 ? 
Cs1 U1 Cs1 121.543(5) 3_656 3_556 ? 
O3 Cs1 O3 86.90(15) 3_666 3_656 ? 
O3 Cs1 O2 158.13(17) 3_666 3_556 ? 
O3 Cs1 O2 92.92(12) 3_656 3_556 ? 
O3 Cs1 O2 92.92(12) 3_666 3_566 ? 
O3 Cs1 O2 158.13(17) 3_656 3_566 ? 
O2 Cs1 O2 79.23(13) 3_556 3_566 ? 
O3 Cs1 O2 76.28(15) 3_666 . ? 
O3 Cs1 O2 76.28(15) 3_656 . ? 
O2 Cs1 O2 82.43(14) 3_556 . ? 
O2 Cs1 O2 82.43(14) 3_566 . ? 
O3 Cs1 Cl1 132.23(9) 3_666 1_455 ? 
O3 Cs1 Cl1 132.23(9) 3_656 1_455 ? 
O2 Cs1 Cl1 61.09(11) 3_556 1_455 ? 
O2 Cs1 Cl1 61.09(11) 3_566 1_455 ? 
O2 Cs1 Cl1 131.28(11) . 1_455 ? 
O3 Cs1 Cl1 69.83(13) 3_666 3_667 ? 
O3 Cs1 Cl1 117.43(14) 3_656 3_667 ? 
O2 Cs1 Cl1 128.33(11) 3_556 3_667 ? 
O2 Cs1 Cl1 82.72(10) 3_566 3_667 ? 
O2 Cs1 Cl1 142.04(4) . 3_667 ? 
Cl1 Cs1 Cl1 67.75(5) 1_455 3_667 ? 
O3 Cs1 Cl1 117.43(14) 3_666 3_657 ? 
O3 Cs1 Cl1 69.83(13) 3_656 3_657 ? 
O2 Cs1 Cl1 82.72(10) 3_556 3_657 ? 
O2 Cs1 Cl1 128.33(11) 3_566 3_657 ? 
O2 Cs1 Cl1 142.04(4) . 3_657 ? 
Cl1 Cs1 Cl1 67.75(5) 1_455 3_657 ? 
Cl1 Cs1 Cl1 71.70(4) 3_667 3_657 ? 
O3 Cs1 Cs1 133.45(8) 3_666 1_545 ? 
O3 Cs1 Cs1 46.55(8) 3_656 1_545 ? 
O2 Cs1 Cs1 50.38(7) 3_556 1_545 ? 
O2 Cs1 Cs1 129.62(7) 3_566 1_545 ? 
O2 Cs1 Cs1 90.000(1) . 1_545 ? 
Cl1 Cs1 Cs1 90.0 1_455 1_545 ? 
Cl1 Cs1 Cs1 125.85(2) 3_667 1_545 ? 
Cl1 Cs1 Cs1 54.15(2) 3_657 1_545 ? 
O3 Cs1 Cs1 46.55(8) 3_666 1_565 ? 
O3 Cs1 Cs1 133.45(8) 3_656 1_565 ? 
O2 Cs1 Cs1 129.62(7) 3_556 1_565 ? 
O2 Cs1 Cs1 50.38(7) 3_566 1_565 ? 
O2 Cs1 Cs1 90.000(1) . 1_565 ? 
Cl1 Cs1 Cs1 90.0 1_455 1_565 ? 
Cl1 Cs1 Cs1 54.15(2) 3_667 1_565 ? 
Cl1 Cs1 Cs1 125.85(2) 3_657 1_565 ? 
Cs1 Cs1 Cs1 180.0 1_545 1_565 ? 
O3 Cs1 U1 17.52(9) 3_666 3_666 ? 
O3 Cs1 U1 71.83(8) 3_656 3_666 ? 
O2 Cs1 U1 145.99(11) 3_556 3_666 ? 
O2 Cs1 U1 103.53(8) 3_566 3_666 ? 
O2 Cs1 U1 64.70(9) . 3_666 ? 
Cl1 Cs1 U1 149.755(14) 1_455 3_666 ? 
Cl1 Cs1 U1 85.29(3) 3_667 3_666 ? 
Cl1 Cs1 U1 117.67(4) 3_657 3_666 ? 
Cs1 Cs1 U1 117.815(4) 1_545 3_666 ? 
Cs1 Cs1 U1 62.186(4) 1_565 3_666 ? 
O3 Cs1 U1 71.83(8) 3_666 3_656 ? 
O3 Cs1 U1 17.52(9) 3_656 3_656 ? 
O2 Cs1 U1 103.53(8) 3_556 3_656 ? 
O2 Cs1 U1 145.99(11) 3_566 3_656 ? 
O2 Cs1 U1 64.70(9) . 3_656 ? 
Cl1 Cs1 U1 149.755(14) 1_455 3_656 ? 
Cl1 Cs1 U1 117.67(4) 3_667 3_656 ? 
Cl1 Cs1 U1 85.29(3) 3_657 3_656 ? 
Cs1 Cs1 U1 62.186(4) 1_545 3_656 ? 
Cs1 Cs1 U1 117.815(4) 1_565 3_656 ? 
U1 Cs1 U1 55.628(8) 3_666 3_656 ? 
U1 Cl1 U1 87.52(5) 3_656 3_666 ? 
U1 Cl1 Cs1 87.45(5) 3_656 1_655 ? 
U1 Cl1 Cs1 87.45(5) 3_666 1_655 ? 
U1 Cl1 Cs1 159.81(7) 3_656 3_667 ? 
U1 Cl1 Cs1 97.378(18) 3_666 3_667 ? 
Cs1 Cl1 Cs1 112.25(5) 1_655 3_667 ? 
U1 Cl1 Cs1 97.378(18) 3_656 3_657 ? 
U1 Cl1 Cs1 159.81(7) 3_666 3_657 ? 
Cs1 Cl1 Cs1 112.25(5) 1_655 3_657 ? 
Cs1 Cl1 Cs1 71.70(4) 3_667 3_657 ? 
U1 O1 U1 137.3(3) 3_666 3_656 ? 
U1 O1 U1 111.30(14) 3_666 . ? 
U1 O1 U1 111.30(14) 3_656 . ? 
U1 O2 Cs1 123.3(2) . 3_556 ? 
U1 O2 Cs1 123.3(2) . 3_566 ? 
Cs1 O2 Cs1 79.23(13) 3_556 3_566 ? 
U1 O2 Cs1 124.6(3) . . ? 
Cs1 O2 Cs1 97.57(14) 3_556 . ? 
Cs1 O2 Cs1 97.57(14) 3_566 . ? 
U1 O3 Cs1 132.42(15) . 3_666 ? 
U1 O3 Cs1 132.42(15) . 3_656 ? 
Cs1 O3 Cs1 86.90(15) 3_666 3_656 ? 
  