# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1819708'
_audit_update_record             
;
2018-01-26 deposited with the CCDC.
2018-04-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Bi2 F5 K O3 Se'
_chemical_formula_weight         679.02

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbcm

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z-1/2'
'-x, y-1/2, z'
'x, -y-1/2, z-1/2'

_cell_length_a                   4.553(5)
_cell_length_b                   17.80(2)
_cell_length_c                   8.797(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     712.9(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2454
_cell_measurement_theta_min      2.5812
_cell_measurement_theta_max      27.5515

_exptl_crystal_description       Prism
_exptl_crystal_colour            White
_exptl_crystal_size_max          0.1500
_exptl_crystal_size_mid          0.1000
_exptl_crystal_size_min          0.0800
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    6.326
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1152
_exptl_absorpt_coefficient_mu    55.048
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.4283
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        0
_diffrn_reflns_number            5380
_diffrn_reflns_av_R_equivalents  0.0932
_diffrn_reflns_av_sigmaI/netI    0.0620
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         3.26
_diffrn_reflns_theta_max         27.49
_reflns_number_total             867
_reflns_number_gt                817
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0357P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0047(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         867
_refine_ls_number_parameters     64
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0385
_refine_ls_wR_factor_ref         0.0903
_refine_ls_wR_factor_gt          0.0881
_refine_ls_goodness_of_fit_ref   1.186
_refine_ls_restrained_S_all      1.186
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Bi1 Bi 0.04132(12) 0.11726(2) 0.48213(5) 0.0110(2) Uani 1 1 d . . .
Se1 Se 0.4483(3) 0.00493(6) 0.7500 0.0102(3) Uani 1 2 d S . .
F1 F -0.4214(15) 0.1476(4) 0.5276(7) 0.0211(16) Uani 1 1 d . . .
F2 F 0.093(2) 0.2500 0.5000 0.023(2) Uani 1 2 d S . .
F3 F -0.0735(18) 0.1657(4) 0.2500 0.0160(19) Uani 1 2 d S . .
F4 F 0.053(2) 0.1363(4) 0.7500 0.023(2) Uani 1 2 d S . .
O1 O 0.2159(15) -0.0071(3) 0.5987(6) 0.0136(14) Uani 1 1 d . . .
O2 O 0.638(2) -0.0758(4) 0.7500 0.017(2) Uani 1 2 d S . .
K1 K 0.4923(9) 0.25608(17) 0.2500 0.0202(9) Uani 1 2 d S . .


_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
Bi1 F1 2.211(7) . ?
Bi1 F3 2.277(4) . ?
Bi1 F2 2.380(3) . ?
Bi1 F4 2.381(3) . ?
Bi1 O1 2.393(6) 5_556 ?
Bi1 F1 2.537(8) 1_655 ?
Bi1 O1 2.565(6) . ?
Bi1 O2 2.615(6) 5_656 ?
Se1 O2 1.678(9) . ?
Se1 O1 1.714(6) . ?
Se1 O1 1.714(6) 6_557 ?
F1 Bi1 2.537(8) 1_455 ?
F2 Bi1 2.380(3) 3_556 ?
F3 Bi1 2.277(4) 6_556 ?
F4 Bi1 2.381(3) 6_557 ?
O1 Bi1 2.393(6) 5_556 ?
O2 Bi1 2.615(6) 2_655 ?
O2 Bi1 2.615(6) 5_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
F1 Bi1 F3 81.4(3) . . ?
F1 Bi1 F2 80.8(3) . . ?
F3 Bi1 F2 72.92(19) . . ?
F1 Bi1 F4 78.9(3) . . ?
F3 Bi1 F4 147.0(2) . . ?
F2 Bi1 F4 77.92(18) . . ?
F1 Bi1 O1 77.7(3) . 5_556 ?
F3 Bi1 O1 86.1(2) . 5_556 ?
F2 Bi1 O1 151.9(3) . 5_556 ?
F4 Bi1 O1 115.0(2) . 5_556 ?
F1 Bi1 F1 147.0(3) . 1_655 ?
F3 Bi1 F1 106.4(3) . 1_655 ?
F2 Bi1 F1 71.5(3) . 1_655 ?
F4 Bi1 F1 78.0(3) . 1_655 ?
O1 Bi1 F1 133.9(2) 5_556 1_655 ?
F1 Bi1 O1 115.7(3) . . ?
F3 Bi1 O1 139.1(2) . . ?
F2 Bi1 O1 143.1(2) . . ?
F4 Bi1 O1 73.8(2) . . ?
O1 Bi1 O1 64.1(2) 5_556 . ?
F1 Bi1 O1 79.7(2) 1_655 . ?
F1 Bi1 O2 137.8(2) . 5_656 ?
F3 Bi1 O2 62.3(2) . 5_656 ?
F2 Bi1 O2 106.1(2) . 5_656 ?
F4 Bi1 O2 143.1(3) . 5_656 ?
O1 Bi1 O2 79.0(3) 5_556 5_656 ?
F1 Bi1 O2 69.2(2) 1_655 5_656 ?
O1 Bi1 O2 84.0(2) . 5_656 ?
O2 Se1 O1 102.2(3) . . ?
O2 Se1 O1 102.2(3) . 6_557 ?
O1 Se1 O1 101.9(5) . 6_557 ?
Bi1 F1 Bi1 147.0(3) . 1_455 ?
Bi1 F2 Bi1 168.7(5) 3_556 . ?
Bi1 F3 Bi1 127.5(3) . 6_556 ?
Bi1 F4 Bi1 163.4(4) . 6_557 ?
Se1 O1 Bi1 129.4(3) . 5_556 ?
Se1 O1 Bi1 113.2(3) . . ?
Bi1 O1 Bi1 115.9(2) 5_556 . ?
Se1 O2 Bi1 122.0(2) . 2_655 ?
Se1 O2 Bi1 122.0(2) . 5_656 ?
Bi1 O2 Bi1 102.7(3) 2_655 5_656 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         2.923
_refine_diff_density_min         -2.754
_refine_diff_density_rms         0.628
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a
_database_code_depnum_ccdc_archive 'CCDC 1819709'
_audit_update_record             
;
2018-03-27 deposited with the CCDC.
2018-04-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Bi2 F5 O3 Rb Se'
_chemical_formula_weight         725.39

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P-1   '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.8419(19)
_cell_length_b                   8.917(3)
_cell_length_c                   9.631(3)
_cell_angle_alpha                88.28(3)
_cell_angle_beta                 89.825(17)
_cell_angle_gamma                89.76(3)
_cell_volume                     758.9(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2612
_cell_measurement_theta_min      2.3035
_cell_measurement_theta_max      27.5748

_exptl_crystal_description       Prism
_exptl_crystal_colour            White
_exptl_crystal_size_max          0.1000
_exptl_crystal_size_mid          0.1000
_exptl_crystal_size_min          0.1000
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    6.349
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1224
_exptl_absorpt_coefficient_mu    57.536
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.3001
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  
;
Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         ?
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        0
_diffrn_reflns_number            6539
_diffrn_reflns_av_R_equivalents  0.0744
_diffrn_reflns_av_sigmaI/netI    0.1328
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.30
_diffrn_reflns_theta_max         27.57
_reflns_number_total             3409
_reflns_number_gt                2688
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+2.3446P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00163(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         3409
_refine_ls_number_parameters     218
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0816
_refine_ls_R_factor_gt           0.0589
_refine_ls_wR_factor_ref         0.1298
_refine_ls_wR_factor_gt          0.1192
_refine_ls_goodness_of_fit_ref   1.149
_refine_ls_restrained_S_all      1.149
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Bi1 Bi 0.03357(9) 0.27056(8) 0.20257(8) 0.0107(2) Uani 1 1 d . . .
Bi2 Bi 0.46657(9) -0.22934(9) 0.20260(8) 0.0115(2) Uani 1 1 d . . .
Bi3 Bi -0.00620(9) 0.23697(9) 0.75503(8) 0.0110(2) Uani 1 1 d . . .
Bi4 Bi 0.49396(9) 0.26296(9) 0.24483(8) 0.0114(2) Uani 1 1 d . . .
Se1 Se 0.2411(2) -0.4770(2) -0.0196(2) 0.0108(5) Uani 1 1 d . . .
Se2 Se 0.2589(2) 0.0232(2) -0.0195(2) 0.0110(5) Uani 1 1 d . . .
Rb1 Rb 0.7443(2) -0.4843(2) 0.4869(2) 0.0185(5) Uani 1 1 d . . .
Rb2 Rb -0.2445(2) 0.0157(2) 0.4866(2) 0.0189(5) Uani 1 1 d . . .
F1 F 0.5238(13) 0.0078(13) 0.2906(14) 0.022(3) Uani 1 1 d . . .
F2 F 0.0117(13) 0.2438(12) 0.5364(12) 0.020(3) Uani 1 1 d . . .
F3 F 0.5129(14) 0.2549(14) 0.4616(12) 0.024(3) Uani 1 1 d . . .
F4 F -0.0221(14) 0.5052(14) 0.2898(13) 0.026(3) Uani 1 1 d . . .
F5 F 0.2474(12) -0.2802(13) 0.3239(12) 0.015(3) Uani 1 1 d . . .
F6 F 0.5133(15) 0.5043(13) 0.2849(14) 0.028(4) Uani 1 1 d . . .
F7 F 0.0124(16) -0.0065(13) 0.7162(14) 0.030(4) Uani 1 1 d . . .
F8 F 0.7445(14) 0.2653(15) 0.2654(14) 0.028(4) Uani 1 1 d . . .
F9 F 0.2528(14) 0.2183(14) 0.3250(14) 0.026(4) Uani 1 1 d . . .
F10 F 0.2439(14) 0.2335(14) 0.7315(13) 0.023(3) Uani 1 1 d . . .
O1 O 0.3898(16) -0.3611(14) 0.0118(16) 0.017(4) Uani 1 1 d . . .
O2 O 0.2246(17) -0.5746(14) 0.1328(15) 0.015(4) Uani 1 1 d . . .
O3 O 0.1111(16) 0.1360(17) 0.0139(16) 0.021(4) Uani 1 1 d . . .
O4 O 0.2725(15) -0.0774(17) 0.1317(16) 0.019(4) Uani 1 1 d . . .
O5 O 0.0895(16) -0.3585(16) -0.0075(15) 0.016(4) Uani 1 1 d . . .
O6 O 0.4086(17) 0.1460(17) -0.0029(17) 0.027(4) 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. 
;

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
Bi1 O2 2.273(14) 1_565 ?
Bi1 O5 2.290(13) 2 ?
Bi1 O3 2.309(16) . ?
Bi1 F9 2.311(11) . ?
Bi1 F4 2.328(14) . ?
Bi1 F7 2.493(11) 2_556 ?
Bi1 F8 2.625(13) 1_455 ?
Bi1 Rb1 4.104(2) 2_656 ?
Bi1 Rb2 4.281(3) . ?
Bi1 Rb2 4.299(3) 2_556 ?
Bi1 Rb1 4.369(3) 1_465 ?
Bi2 O4 2.276(14) . ?
Bi2 F5 2.299(11) . ?
Bi2 O1 2.316(13) . ?
Bi2 O6 2.319(16) 2_655 ?
Bi2 F1 2.359(12) . ?
Bi2 F6 2.514(12) 1_545 ?
Bi2 F10 2.639(12) 2_656 ?
Bi2 Rb2 4.089(3) 2_556 ?
Bi2 Rb1 4.280(2) . ?
Bi2 Rb1 4.299(3) 2_646 ?
Bi2 Rb2 4.385(2) 1_655 ?
Bi3 F2 2.110(12) . ?
Bi3 F7 2.219(13) . ?
Bi3 F10 2.222(13) . ?
Bi3 F5 2.294(10) 2_556 ?
Bi3 F4 2.341(12) 2_566 ?
Bi3 Rb1 3.919(2) 2_656 ?
Bi3 Rb2 3.923(2) . ?
Bi3 Rb2 3.956(3) 2_556 ?
Bi3 Rb1 4.161(3) 1_465 ?
Bi4 F3 2.094(12) . ?
Bi4 F6 2.206(12) . ?
Bi4 F8 2.225(12) . ?
Bi4 F9 2.297(13) . ?
Bi4 F1 2.318(12) . ?
Bi4 O6 2.741(16) . ?
Bi4 Rb1 3.905(3) 2_656 ?
Bi4 Rb2 3.914(2) 1_655 ?
Bi4 Rb1 3.975(2) 1_565 ?
Bi4 Rb2 4.165(3) 2_556 ?
Se1 O2 1.690(14) . ?
Se1 O1 1.709(12) . ?
Se1 O5 1.710(16) . ?
Se2 O3 1.682(16) . ?
Se2 O4 1.691(14) . ?
Se2 O6 1.732(12) . ?
Rb1 F5 2.739(11) 2_646 ?
Rb1 F4 2.804(14) 1_645 ?
Rb1 F6 2.829(11) 1_545 ?
Rb1 F10 3.026(12) 2_656 ?
Rb1 F9 3.027(15) 2_656 ?
Rb1 F2 3.051(11) 2_656 ?
Rb1 F3 3.101(13) 2_656 ?
Rb1 F3 3.119(12) 1_545 ?
Rb1 F8 3.134(15) 1_545 ?
Rb1 F6 3.162(15) 2_656 ?
Rb1 F4 3.271(11) 2_656 ?
Rb1 F2 3.404(12) 1_645 ?
Rb2 F9 2.724(11) 2_556 ?
Rb2 F1 2.793(10) 1_455 ?
Rb2 F7 2.831(15) 2_556 ?
Rb2 F3 3.024(13) 1_455 ?
Rb2 F5 3.025(13) 2_556 ?
Rb2 F8 3.036(12) 1_455 ?
Rb2 F2 3.099(11) . ?
Rb2 F2 3.102(13) 2_556 ?
Rb2 F10 3.103(13) 2_556 ?
Rb2 F7 3.176(13) . ?
Rb2 F1 3.270(14) 2_556 ?
Rb2 F3 3.416(12) 2_556 ?
F1 Rb2 2.793(10) 1_655 ?
F1 Rb2 3.270(14) 2_556 ?
F2 Rb1 3.051(11) 2_656 ?
F2 Rb2 3.102(13) 2_556 ?
F2 Rb1 3.404(12) 1_465 ?
F3 Rb2 3.024(13) 1_655 ?
F3 Rb1 3.101(13) 2_656 ?
F3 Rb1 3.119(12) 1_565 ?
F3 Rb2 3.416(12) 2_556 ?
F4 Bi3 2.341(12) 2_566 ?
F4 Rb1 2.804(14) 1_465 ?
F4 Rb1 3.271(11) 2_656 ?
F5 Bi3 2.294(10) 2_556 ?
F5 Rb1 2.739(11) 2_646 ?
F5 Rb2 3.025(13) 2_556 ?
F6 Bi2 2.514(12) 1_565 ?
F6 Rb1 2.829(11) 1_565 ?
F6 Rb1 3.162(15) 2_656 ?
F7 Bi1 2.493(11) 2_556 ?
F7 Rb2 2.831(15) 2_556 ?
F8 Bi1 2.625(13) 1_655 ?
F8 Rb2 3.036(12) 1_655 ?
F8 Rb1 3.134(15) 1_565 ?
F9 Rb2 2.724(11) 2_556 ?
F9 Rb1 3.027(15) 2_656 ?
F10 Bi2 2.639(12) 2_656 ?
F10 Rb1 3.026(12) 2_656 ?
F10 Rb2 3.103(13) 2_556 ?
O2 Bi1 2.273(14) 1_545 ?
O5 Bi1 2.290(13) 2 ?
O6 Bi2 2.319(16) 2_655 ?

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 Bi1 O5 85.5(5) 1_565 2 ?
O2 Bi1 O3 82.8(5) 1_565 . ?
O5 Bi1 O3 70.5(5) 2 . ?
O2 Bi1 F9 68.7(4) 1_565 . ?
O5 Bi1 F9 151.3(5) 2 . ?
O3 Bi1 F9 93.1(5) . . ?
O2 Bi1 F4 73.5(5) 1_565 . ?
O5 Bi1 F4 84.7(5) 2 . ?
O3 Bi1 F4 147.0(5) . . ?
F9 Bi1 F4 99.1(5) . . ?
O2 Bi1 F7 140.9(5) 1_565 2_556 ?
O5 Bi1 F7 118.4(4) 2 2_556 ?
O3 Bi1 F7 77.7(5) . 2_556 ?
F9 Bi1 F7 78.8(4) . 2_556 ?
F4 Bi1 F7 134.7(5) . 2_556 ?
O2 Bi1 F8 143.0(5) 1_565 1_455 ?
O5 Bi1 F8 74.3(5) 2 1_455 ?
O3 Bi1 F8 117.4(4) . 1_455 ?
F9 Bi1 F8 134.2(4) . 1_455 ?
F4 Bi1 F8 74.1(4) . 1_455 ?
F7 Bi1 F8 75.9(4) 2_556 1_455 ?
O2 Bi1 Rb1 64.2(4) 1_565 2_656 ?
O5 Bi1 Rb1 132.3(4) 2 2_656 ?
O3 Bi1 Rb1 134.1(3) . 2_656 ?
F9 Bi1 Rb1 46.7(4) . 2_656 ?
F4 Bi1 Rb1 52.8(3) . 2_656 ?
F7 Bi1 Rb1 107.8(3) 2_556 2_656 ?
F8 Bi1 Rb1 107.9(3) 1_455 2_656 ?
O2 Bi1 Rb2 157.3(3) 1_565 . ?
O5 Bi1 Rb2 114.4(4) 2 . ?
O3 Bi1 Rb2 113.1(3) . . ?
F9 Bi1 Rb2 93.5(3) . . ?
F4 Bi1 Rb2 96.7(3) . . ?
F7 Bi1 Rb2 39.3(4) 2_556 . ?
F8 Bi1 Rb2 44.6(3) 1_455 . ?
Rb1 Bi1 Rb2 93.49(5) 2_656 . ?
O2 Bi1 Rb2 103.0(3) 1_565 2_556 ?
O5 Bi1 Rb2 163.5(4) 2 2_556 ?
O3 Bi1 Rb2 96.3(4) . 2_556 ?
F9 Bi1 Rb2 34.4(3) . 2_556 ?
F4 Bi1 Rb2 111.1(3) . 2_556 ?
F7 Bi1 Rb2 47.0(3) 2_556 2_556 ?
F8 Bi1 Rb2 104.8(3) 1_455 2_556 ?
Rb1 Bi1 Rb2 64.05(5) 2_656 2_556 ?
Rb2 Bi1 Rb2 60.76(5) . 2_556 ?
O2 Bi1 Rb1 107.9(4) 1_565 1_465 ?
O5 Bi1 Rb1 94.1(4) 2 1_465 ?
O3 Bi1 Rb1 160.9(3) . 1_465 ?
F9 Bi1 Rb1 105.4(4) . 1_465 ?
F4 Bi1 Rb1 35.1(3) . 1_465 ?
F7 Bi1 Rb1 101.1(3) 2_556 1_465 ?
F8 Bi1 Rb1 45.2(3) 1_455 1_465 ?
Rb1 Bi1 Rb1 64.65(5) 2_656 1_465 ?
Rb2 Bi1 Rb1 62.06(5) . 1_465 ?
Rb2 Bi1 Rb1 96.51(5) 2_556 1_465 ?
O4 Bi2 F5 68.0(4) . . ?
O4 Bi2 O1 81.3(5) . . ?
F5 Bi2 O1 93.2(5) . . ?
O4 Bi2 O6 86.3(5) . 2_655 ?
F5 Bi2 O6 151.0(4) . 2_655 ?
O1 Bi2 O6 68.9(5) . 2_655 ?
O4 Bi2 F1 75.0(5) . . ?
F5 Bi2 F1 99.6(5) . . ?
O1 Bi2 F1 146.3(4) . . ?
O6 Bi2 F1 85.7(5) 2_655 . ?
O4 Bi2 F6 139.9(4) . 1_545 ?
F5 Bi2 F6 78.8(4) . 1_545 ?
O1 Bi2 F6 78.5(4) . 1_545 ?
O6 Bi2 F6 117.5(6) 2_655 1_545 ?
F1 Bi2 F6 134.4(4) . 1_545 ?
O4 Bi2 F10 143.7(4) . 2_656 ?
F5 Bi2 F10 133.9(4) . 2_656 ?
O1 Bi2 F10 118.4(5) . 2_656 ?
O6 Bi2 F10 75.0(4) 2_655 2_656 ?
F1 Bi2 F10 73.0(4) . 2_656 ?
F6 Bi2 F10 76.2(4) 1_545 2_656 ?
O4 Bi2 Rb2 64.9(4) . 2_556 ?
F5 Bi2 Rb2 46.9(3) . 2_556 ?
O1 Bi2 Rb2 134.3(4) . 2_556 ?
O6 Bi2 Rb2 133.5(4) 2_655 2_556 ?
F1 Bi2 Rb2 53.1(3) . 2_556 ?
F6 Bi2 Rb2 107.6(3) 1_545 2_556 ?
F10 Bi2 Rb2 106.8(3) 2_656 2_556 ?
O4 Bi2 Rb1 157.5(4) . . ?
F5 Bi2 Rb1 93.7(3) . . ?
O1 Bi2 Rb1 114.0(3) . . ?
O6 Bi2 Rb1 114.2(4) 2_655 . ?
F1 Bi2 Rb1 96.3(3) . . ?
F6 Bi2 Rb1 39.4(3) 1_545 . ?
F10 Bi2 Rb1 44.5(3) 2_656 . ?
Rb2 Bi2 Rb1 93.15(5) 2_556 . ?
O4 Bi2 Rb1 102.6(4) . 2_646 ?
F5 Bi2 Rb1 34.6(3) . 2_646 ?
O1 Bi2 Rb1 96.8(3) . 2_646 ?
O6 Bi2 Rb1 162.1(4) 2_655 2_646 ?
F1 Bi2 Rb1 111.4(3) . 2_646 ?
F6 Bi2 Rb1 46.8(4) 1_545 2_646 ?
F10 Bi2 Rb1 104.5(3) 2_656 2_646 ?
Rb2 Bi2 Rb1 64.17(5) 2_556 2_646 ?
Rb1 Bi2 Rb1 60.72(6) . 2_646 ?
O4 Bi2 Rb2 109.0(4) . 1_655 ?
F5 Bi2 Rb2 105.7(3) . 1_655 ?
O1 Bi2 Rb2 160.7(4) . 1_655 ?
O6 Bi2 Rb2 94.9(3) 2_655 1_655 ?
F1 Bi2 Rb2 34.8(3) . 1_655 ?
F6 Bi2 Rb2 101.1(3) 1_545 1_655 ?
F10 Bi2 Rb2 44.3(3) 2_656 1_655 ?
Rb2 Bi2 Rb2 64.59(6) 2_556 1_655 ?
Rb1 Bi2 Rb2 61.93(4) . 1_655 ?
Rb1 Bi2 Rb2 96.74(5) 2_646 1_655 ?
F2 Bi3 F7 80.0(4) . . ?
F2 Bi3 F10 80.0(4) . . ?
F7 Bi3 F10 84.1(5) . . ?
F2 Bi3 F5 74.7(5) . 2_556 ?
F7 Bi3 F5 99.5(5) . 2_556 ?
F10 Bi3 F5 153.4(4) . 2_556 ?
F2 Bi3 F4 79.0(4) . 2_566 ?
F7 Bi3 F4 157.2(5) . 2_566 ?
F10 Bi3 F4 83.6(5) . 2_566 ?
F5 Bi3 F4 83.5(4) 2_556 2_566 ?
F2 Bi3 Rb1 50.6(3) . 2_656 ?
F7 Bi3 Rb1 113.2(4) . 2_656 ?
F10 Bi3 Rb1 50.2(3) . 2_656 ?
F5 Bi3 Rb1 105.5(3) 2_556 2_656 ?
F4 Bi3 Rb1 45.0(4) 2_566 2_656 ?
F2 Bi3 Rb2 51.8(3) . . ?
F7 Bi3 Rb2 54.0(3) . . ?
F10 Bi3 Rb2 117.5(3) . . ?
F5 Bi3 Rb2 50.3(3) 2_556 . ?
F4 Bi3 Rb2 116.7(3) 2_566 . ?
Rb1 Bi3 Rb2 102.33(5) 2_656 . ?
F2 Bi3 Rb2 51.1(3) . 2_556 ?
F7 Bi3 Rb2 44.3(4) . 2_556 ?
F10 Bi3 Rb2 51.5(3) . 2_556 ?
F5 Bi3 Rb2 114.5(3) 2_556 2_556 ?
F4 Bi3 Rb2 113.8(4) 2_566 2_556 ?
Rb1 Bi3 Rb2 68.99(5) 2_656 2_556 ?
Rb2 Bi3 Rb2 66.84(6) . 2_556 ?
F2 Bi3 Rb1 54.6(3) . 1_465 ?
F7 Bi3 Rb1 120.1(3) . 1_465 ?
F10 Bi3 Rb1 118.3(3) . 1_465 ?
F5 Bi3 Rb1 37.9(3) 2_556 1_465 ?
F4 Bi3 Rb1 51.6(3) 2_566 1_465 ?
Rb1 Bi3 Rb1 68.24(6) 2_656 1_465 ?
Rb2 Bi3 Rb1 66.88(5) . 1_465 ?
Rb2 Bi3 Rb1 105.64(5) 2_556 1_465 ?
F3 Bi4 F6 79.8(5) . . ?
F3 Bi4 F8 80.1(5) . . ?
F6 Bi4 F8 83.7(5) . . ?
F3 Bi4 F9 75.0(5) . . ?
F6 Bi4 F9 100.2(5) . . ?
F8 Bi4 F9 153.6(4) . . ?
F3 Bi4 F1 78.3(5) . . ?
F6 Bi4 F1 156.2(4) . . ?
F8 Bi4 F1 83.4(4) . . ?
F9 Bi4 F1 83.1(4) . . ?
F3 Bi4 O6 152.6(4) . . ?
F6 Bi4 O6 125.0(4) . . ?
F8 Bi4 O6 111.2(5) . . ?
F9 Bi4 O6 88.1(5) . . ?
F1 Bi4 O6 78.4(4) . . ?
F3 Bi4 Rb1 52.2(4) . 2_656 ?
F6 Bi4 Rb1 54.0(4) . 2_656 ?
F8 Bi4 Rb1 117.9(4) . 2_656 ?
F9 Bi4 Rb1 50.7(4) . 2_656 ?
F1 Bi4 Rb1 116.5(4) . 2_656 ?
O6 Bi4 Rb1 129.7(4) . 2_656 ?
F3 Bi4 Rb2 49.9(4) . 1_655 ?
F6 Bi4 Rb2 112.5(3) . 1_655 ?
F8 Bi4 Rb2 50.6(3) . 1_655 ?
F9 Bi4 Rb2 105.0(3) . 1_655 ?
F1 Bi4 Rb2 44.7(3) . 1_655 ?
O6 Bi4 Rb2 117.4(3) . 1_655 ?
Rb1 Bi4 Rb2 102.09(6) 2_656 1_655 ?
F3 Bi4 Rb1 51.1(3) . 1_565 ?
F6 Bi4 Rb1 43.8(3) . 1_565 ?
F8 Bi4 Rb1 51.8(4) . 1_565 ?
F9 Bi4 Rb1 114.8(4) . 1_565 ?
F1 Bi4 Rb1 113.4(3) . 1_565 ?
O6 Bi4 Rb1 154.7(3) . 1_565 ?
Rb1 Bi4 Rb1 66.77(6) 2_656 1_565 ?
Rb2 Bi4 Rb1 68.84(5) 1_655 1_565 ?
F3 Bi4 Rb2 54.8(3) . 2_556 ?
F6 Bi4 Rb2 120.1(4) . 2_556 ?
F8 Bi4 Rb2 118.7(3) . 2_556 ?
F9 Bi4 Rb2 37.4(3) . 2_556 ?
F1 Bi4 Rb2 51.5(3) . 2_556 ?
O6 Bi4 Rb2 99.0(3) . 2_556 ?
Rb1 Bi4 Rb2 67.00(5) 2_656 2_556 ?
Rb2 Bi4 Rb2 68.20(6) 1_655 2_556 ?
Rb1 Bi4 Rb2 105.74(5) 1_565 2_556 ?
O2 Se1 O1 102.2(6) . . ?
O2 Se1 O5 100.2(7) . . ?
O1 Se1 O5 102.3(7) . . ?
O3 Se2 O4 101.3(7) . . ?
O3 Se2 O6 101.1(8) . . ?
O4 Se2 O6 100.7(7) . . ?
F5 Rb1 F4 113.0(4) 2_646 1_645 ?
F5 Rb1 F6 115.7(3) 2_646 1_545 ?
F4 Rb1 F6 93.6(4) 1_645 1_545 ?
F5 Rb1 F10 175.8(4) 2_646 2_656 ?
F4 Rb1 F10 62.8(4) 1_645 2_656 ?
F6 Rb1 F10 65.7(3) 1_545 2_656 ?
F5 Rb1 F9 101.6(3) 2_646 2_656 ?
F4 Rb1 F9 116.0(3) 1_645 2_656 ?
F6 Rb1 F9 117.8(4) 1_545 2_656 ?
F10 Rb1 F9 80.8(3) 2_656 2_656 ?
F5 Rb1 F2 123.6(3) 2_646 2_656 ?
F4 Rb1 F2 57.8(3) 1_645 2_656 ?
F6 Rb1 F2 120.2(3) 1_545 2_656 ?
F10 Rb1 F2 54.6(3) 2_656 2_656 ?
F9 Rb1 F2 58.2(3) 2_656 2_656 ?
F5 Rb1 F3 114.1(4) 2_646 2_656 ?
F4 Rb1 F3 132.8(3) 1_645 2_656 ?
F6 Rb1 F3 67.6(4) 1_545 2_656 ?
F10 Rb1 F3 70.1(4) 2_656 2_656 ?
F9 Rb1 F3 51.8(3) 2_656 2_656 ?
F2 Rb1 F3 93.7(3) 2_656 2_656 ?
F5 Rb1 F3 60.7(3) 2_646 1_545 ?
F4 Rb1 F3 113.0(4) 1_645 1_545 ?
F6 Rb1 F3 55.0(3) 1_545 1_545 ?
F10 Rb1 F3 120.4(3) 2_656 1_545 ?
F9 Rb1 F3 130.9(4) 2_656 1_545 ?
F2 Rb1 F3 170.4(4) 2_656 1_545 ?
F3 Rb1 F3 91.6(3) 2_656 1_545 ?
F5 Rb1 F8 84.6(4) 2_646 1_545 ?
F4 Rb1 F8 60.2(3) 1_645 1_545 ?
F6 Rb1 F8 59.2(4) 1_545 1_545 ?
F10 Rb1 F8 93.1(3) 2_656 1_545 ?
F9 Rb1 F8 173.8(3) 2_656 1_545 ?
F2 Rb1 F8 117.8(3) 2_656 1_545 ?
F3 Rb1 F8 126.3(3) 2_656 1_545 ?
F3 Rb1 F8 52.8(3) 1_545 1_545 ?
F5 Rb1 F6 62.0(3) 2_646 2_656 ?
F4 Rb1 F6 174.7(3) 1_645 2_656 ?
F6 Rb1 F6 87.4(4) 1_545 2_656 ?
F10 Rb1 F6 122.3(3) 2_656 2_656 ?
F9 Rb1 F6 67.8(3) 2_656 2_656 ?
F2 Rb1 F6 125.9(3) 2_656 2_656 ?
F3 Rb1 F6 52.3(3) 2_656 2_656 ?
F3 Rb1 F6 63.5(3) 1_545 2_656 ?
F8 Rb1 F6 116.3(3) 1_545 2_656 ?
F5 Rb1 F4 61.1(3) 2_646 2_656 ?
F4 Rb1 F4 83.7(4) 1_645 2_656 ?
F6 Rb1 F4 174.1(3) 1_545 2_656 ?
F10 Rb1 F4 117.2(3) 2_656 2_656 ?
F9 Rb1 F4 68.1(3) 2_656 2_656 ?
F2 Rb1 F4 62.6(3) 2_656 2_656 ?
F3 Rb1 F4 118.0(3) 2_656 2_656 ?
F3 Rb1 F4 121.3(3) 1_545 2_656 ?
F8 Rb1 F4 115.0(3) 1_545 2_656 ?
F6 Rb1 F4 94.8(3) 2_656 2_656 ?
F5 Rb1 F2 50.3(3) 2_646 1_645 ?
F4 Rb1 F2 63.1(3) 1_645 1_645 ?
F6 Rb1 F2 123.9(3) 1_545 1_645 ?
F10 Rb1 F2 125.5(3) 2_656 1_645 ?
F9 Rb1 F2 118.3(3) 2_656 1_645 ?
F2 Rb1 F2 90.9(3) 2_656 1_645 ?
F3 Rb1 F2 162.5(3) 2_656 1_645 ?
F3 Rb1 F2 86.4(3) 1_545 1_645 ?
F8 Rb1 F2 65.1(3) 1_545 1_645 ?
F6 Rb1 F2 112.0(3) 2_656 1_645 ?
F4 Rb1 F2 50.3(3) 2_656 1_645 ?
F9 Rb2 F1 113.3(3) 2_556 1_455 ?
F9 Rb2 F7 116.3(4) 2_556 2_556 ?
F1 Rb2 F7 93.6(4) 1_455 2_556 ?
F9 Rb2 F3 123.9(4) 2_556 1_455 ?
F1 Rb2 F3 57.2(4) 1_455 1_455 ?
F7 Rb2 F3 119.4(3) 2_556 1_455 ?
F9 Rb2 F5 101.2(4) 2_556 2_556 ?
F1 Rb2 F5 116.2(4) 1_455 2_556 ?
F7 Rb2 F5 117.3(3) 2_556 2_556 ?
F3 Rb2 F5 59.0(3) 1_455 2_556 ?
F9 Rb2 F8 175.6(3) 2_556 1_455 ?
F1 Rb2 F8 62.3(3) 1_455 1_455 ?
F7 Rb2 F8 64.8(4) 2_556 1_455 ?
F3 Rb2 F8 54.7(4) 1_455 1_455 ?
F5 Rb2 F8 81.6(3) 2_556 1_455 ?
F9 Rb2 F2 114.3(3) 2_556 . ?
F1 Rb2 F2 132.4(3) 1_455 . ?
F7 Rb2 F2 67.0(3) 2_556 . ?
F3 Rb2 F2 93.8(3) 1_455 . ?
F5 Rb2 F2 51.8(3) 2_556 . ?
F8 Rb2 F2 70.2(3) 1_455 . ?
F9 Rb2 F2 60.6(4) 2_556 2_556 ?
F1 Rb2 F2 113.8(4) 1_455 2_556 ?
F7 Rb2 F2 55.7(3) 2_556 2_556 ?
F3 Rb2 F2 170.6(3) 1_455 2_556 ?
F5 Rb2 F2 129.9(3) 2_556 2_556 ?
F8 Rb2 F2 120.2(4) 1_455 2_556 ?
F2 Rb2 F2 91.2(3) . 2_556 ?
F9 Rb2 F10 84.3(4) 2_556 2_556 ?
F1 Rb2 F10 60.5(4) 1_455 2_556 ?
F7 Rb2 F10 59.9(3) 2_556 2_556 ?
F3 Rb2 F10 117.5(3) 1_455 2_556 ?
F5 Rb2 F10 174.5(3) 2_556 2_556 ?
F8 Rb2 F10 92.8(3) 1_455 2_556 ?
F2 Rb2 F10 126.4(4) . 2_556 ?
F2 Rb2 F10 53.4(3) 2_556 2_556 ?
F9 Rb2 F7 61.7(3) 2_556 . ?
F1 Rb2 F7 174.8(3) 1_455 . ?
F7 Rb2 F7 87.7(4) 2_556 . ?
F3 Rb2 F7 126.2(3) 1_455 . ?
F5 Rb2 F7 67.4(3) 2_556 . ?
F8 Rb2 F7 122.7(3) 1_455 . ?
F2 Rb2 F7 52.6(3) . . ?
F2 Rb2 F7 63.0(3) 2_556 . ?
F10 Rb2 F7 116.3(3) 2_556 . ?
F9 Rb2 F1 60.6(4) 2_556 2_556 ?
F1 Rb2 F1 83.5(4) 1_455 2_556 ?
F7 Rb2 F1 174.0(3) 2_556 2_556 ?
F3 Rb2 F1 63.3(3) 1_455 2_556 ?
F5 Rb2 F1 68.7(3) 2_556 2_556 ?
F8 Rb2 F1 117.9(3) 1_455 2_556 ?
F2 Rb2 F1 118.8(3) . 2_556 ?
F2 Rb2 F1 120.7(3) 2_556 2_556 ?
F10 Rb2 F1 114.1(3) 2_556 2_556 ?
F7 Rb2 F1 94.7(3) . 2_556 ?
F9 Rb2 F3 50.2(3) 2_556 2_556 ?
F1 Rb2 F3 63.5(3) 1_455 2_556 ?
F7 Rb2 F3 124.7(3) 2_556 2_556 ?
F3 Rb2 F3 90.7(3) 1_455 2_556 ?
F5 Rb2 F3 118.0(3) 2_556 2_556 ?
F8 Rb2 F3 125.5(3) 1_455 2_556 ?
F2 Rb2 F3 162.4(3) . 2_556 ?
F2 Rb2 F3 86.9(3) 2_556 2_556 ?
F10 Rb2 F3 65.1(3) 2_556 2_556 ?
F7 Rb2 F3 111.7(3) . 2_556 ?
F1 Rb2 F3 49.3(3) 2_556 2_556 ?
Bi4 F1 Bi2 142.4(5) . . ?
Bi4 F1 Rb2 99.5(4) . 1_655 ?
Bi2 F1 Rb2 116.4(4) . 1_655 ?
Bi4 F1 Rb2 94.9(5) . 2_556 ?
Bi2 F1 Rb2 91.7(3) . 2_556 ?
Rb2 F1 Rb2 96.5(4) 1_655 2_556 ?
Bi3 F2 Rb1 97.1(4) . 2_656 ?
Bi3 F2 Rb2 95.8(4) . . ?
Rb1 F2 Rb2 166.6(4) 2_656 . ?
Bi3 F2 Rb2 96.9(4) . 2_556 ?
Rb1 F2 Rb2 92.9(3) 2_656 2_556 ?
Rb2 F2 Rb2 88.8(3) . 2_556 ?
Bi3 F2 Rb1 95.1(4) . 1_465 ?
Rb1 F2 Rb1 89.1(3) 2_656 1_465 ?
Rb2 F2 Rb1 86.5(3) . 1_465 ?
Rb2 F2 Rb1 167.5(4) 2_556 1_465 ?
Bi4 F3 Rb2 98.1(5) . 1_655 ?
Bi4 F3 Rb1 95.5(4) . 2_656 ?
Rb2 F3 Rb1 166.0(5) 1_655 2_656 ?
Bi4 F3 Rb1 97.4(4) . 1_565 ?
Rb2 F3 Rb1 93.1(3) 1_655 1_565 ?
Rb1 F3 Rb1 88.4(3) 2_656 1_565 ?
Bi4 F3 Rb2 95.2(4) . 2_556 ?
Rb2 F3 Rb2 89.3(3) 1_655 2_556 ?
Rb1 F3 Rb2 86.2(3) 2_656 2_556 ?
Rb1 F3 Rb2 166.7(4) 1_565 2_556 ?
Bi1 F4 Bi3 143.0(6) . 2_566 ?
Bi1 F4 Rb1 116.4(4) . 1_465 ?
Bi3 F4 Rb1 98.8(5) 2_566 1_465 ?
Bi1 F4 Rb1 92.7(4) . 2_656 ?
Bi3 F4 Rb1 94.3(3) 2_566 2_656 ?
Rb1 F4 Rb1 96.3(4) 1_465 2_656 ?
Bi3 F5 Bi2 125.9(5) 2_556 . ?
Bi3 F5 Rb1 111.2(4) 2_556 2_646 ?
Bi2 F5 Rb1 116.9(4) . 2_646 ?
Bi3 F5 Rb2 94.0(4) 2_556 2_556 ?
Bi2 F5 Rb2 99.4(4) . 2_556 ?
Rb1 F5 Rb2 101.3(4) 2_646 2_556 ?
Bi4 F6 Bi2 148.1(6) . 1_565 ?
Bi4 F6 Rb1 103.6(4) . 1_565 ?
Bi2 F6 Rb1 106.3(4) 1_565 1_565 ?
Bi4 F6 Rb1 91.6(4) . 2_656 ?
Bi2 F6 Rb1 97.8(5) 1_565 2_656 ?
Rb1 F6 Rb1 92.6(4) 1_565 2_656 ?
Bi3 F7 Bi1 148.8(7) . 2_556 ?
Bi3 F7 Rb2 102.4(4) . 2_556 ?
Bi1 F7 Rb2 106.8(5) 2_556 2_556 ?
Bi3 F7 Rb2 91.5(4) . . ?
Bi1 F7 Rb2 97.9(4) 2_556 . ?
Rb2 F7 Rb2 92.3(4) 2_556 . ?
Bi4 F8 Bi1 161.6(6) . 1_655 ?
Bi4 F8 Rb2 94.9(4) . 1_655 ?
Bi1 F8 Rb2 98.0(4) 1_655 1_655 ?
Bi4 F8 Rb1 94.2(5) . 1_565 ?
Bi1 F8 Rb1 98.3(3) 1_655 1_565 ?
Rb2 F8 Rb1 92.6(4) 1_655 1_565 ?
Bi4 F9 Bi1 125.3(5) . . ?
Bi4 F9 Rb2 111.8(5) . 2_556 ?
Bi1 F9 Rb2 117.0(4) . 2_556 ?
Bi4 F9 Rb1 93.3(4) . 2_656 ?
Bi1 F9 Rb1 99.6(5) . 2_656 ?
Rb2 F9 Rb1 101.5(4) 2_556 2_656 ?
Bi3 F10 Bi2 160.2(6) . 2_656 ?
Bi3 F10 Rb1 95.4(4) . 2_656 ?
Bi2 F10 Rb1 97.9(4) 2_656 2_656 ?
Bi3 F10 Rb2 94.5(4) . 2_556 ?
Bi2 F10 Rb2 99.3(4) 2_656 2_556 ?
Rb1 F10 Rb2 93.4(3) 2_656 2_556 ?
Se1 O1 Bi2 134.0(9) . . ?
Se1 O2 Bi1 127.8(7) . 1_545 ?
Se2 O3 Bi1 134.8(8) . . ?
Se2 O4 Bi2 127.4(8) . . ?
Se1 O5 Bi1 120.9(8) . 2 ?
Se2 O6 Bi2 118.4(8) . 2_655 ?
Se2 O6 Bi4 123.6(8) . . ?
Bi2 O6 Bi4 117.9(5) 2_655 . ?

_diffrn_measured_fraction_theta_max 0.967
_diffrn_reflns_theta_full        27.57
_diffrn_measured_fraction_theta_full 0.967
_refine_diff_density_max         2.837
_refine_diff_density_min         -3.223
_refine_diff_density_rms         0.613
