 
data_1 
  
_audit_creation_method            'SHELXL-2016/6' 
_shelx_SHELXL_version_number      '2016/6' 
_chemical_name_systematic         ? 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'K2 O8 P2 Te' 
_chemical_formula_weight          395.74 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 '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' 
 'P'  'P'   0.1023   0.0942 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Te'  'Te'  -0.5308   1.6751 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_space_group_crystal_system       orthorhombic 
_space_group_IT_number            18 
_space_group_name_H-M_alt         'P 21 21 2' 
_space_group_name_Hall            'P 2 2ab' 
  
_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, z' 
 'x+1/2, -y+1/2, -z' 
 '-x+1/2, y+1/2, -z' 
  
_cell_length_a                    11.9684(5) 
_cell_length_b                    12.1871(5) 
_cell_length_c                    5.5283(2) 
_cell_angle_alpha                 90 
_cell_angle_beta                  90 
_cell_angle_gamma                 90 
_cell_volume                      806.36(6) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     3456 
_cell_measurement_theta_min       3.34 
_cell_measurement_theta_max       27.45 
  
_exptl_crystal_description        block 
_exptl_crystal_colour             colorless 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     ? 
_exptl_crystal_density_diffrn     3.260 
_exptl_crystal_F_000              736 
_exptl_transmission_factor_min    ? 
_exptl_transmission_factor_max    ? 
_exptl_crystal_size_max           0.114 
_exptl_crystal_size_mid           0.095 
_exptl_crystal_size_min           0.093 
_exptl_absorpt_coefficient_mu     5.129 
_shelx_estimated_absorpt_T_min    ? 
_shelx_estimated_absorpt_T_max    ? 
_exptl_absorpt_correction_type    numerical 
_exptl_absorpt_correction_T_min   0.6574  
_exptl_absorpt_correction_T_max   0.7456
_exptl_absorpt_process_details    ? 
_exptl_absorpt_special_details    ? 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_source                    ? 
_diffrn_measurement_device_type   'CCD area detector' 
_diffrn_measurement_method        'phi and omega scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_reflns_number             4961 
_diffrn_reflns_av_unetI/netI      0.0270 
_diffrn_reflns_av_R_equivalents   0.0216 
_diffrn_reflns_limit_h_min        -9 
_diffrn_reflns_limit_h_max        15 
_diffrn_reflns_limit_k_min        -15 
_diffrn_reflns_limit_k_max        15 
_diffrn_reflns_limit_l_min        -7 
_diffrn_reflns_limit_l_max        7 
_diffrn_reflns_theta_min          2.385 
_diffrn_reflns_theta_max          27.473 
_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              1843 
_reflns_number_gt                 1793 
_reflns_threshold_expression      'I > 2σ(I)' 
_reflns_Friedel_coverage          0.678 
_reflns_Friedel_fraction_max      1.000 
_reflns_Friedel_fraction_full     1.000 
  
_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        'Bruker SMART' 
_computing_cell_refinement        'Bruker SMART' 
_computing_data_reduction         'Bruker SAINT' 
_computing_structure_solution     'Bruker SHELXTL' 
_computing_structure_refinement 'SHELXL-2016/6 (Sheldrick, 2016)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'Bruker SHELXTL' 
_refine_special_details 
; 
 Refined as a 2-component inversion 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)+10.0000P] 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      'SHELXL-2016/6 (Sheldrick 2016)' 
_refine_ls_extinction_coef        0.0060(5) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_abs_structure_details 
; 
 Refined as an inversion twin. 
; 
_refine_ls_abs_structure_Flack    0.01(6) 
_chemical_absolute_configuration  rm 
_refine_ls_number_reflns          1843 
_refine_ls_number_parameters      125 
_refine_ls_number_restraints      12 
_refine_ls_R_factor_all           0.0315 
_refine_ls_R_factor_gt            0.0306 
_refine_ls_wR_factor_ref          0.0707 
_refine_ls_wR_factor_gt           0.0701 
_refine_ls_goodness_of_fit_ref    0.983 
_refine_ls_restrained_S_all       1.017 
_refine_ls_shift/su_max           0.003 
_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 
K1 K 0.98495(16) 0.82622(15) -0.0072(4) 0.0239(4) Uani 1 1 d . . . . . 
K2 K 0.82271(16) 0.50056(19) -0.0010(4) 0.0316(5) Uani 1 1 d . . . . . 
Te1 Te 0.73418(4) 0.75205(5) 0.46302(8) 0.01833(17) Uani 1 1 d . . . . . 
P1 P 0.99389(16) 0.62094(15) 0.4894(4) 0.0145(4) Uani 1 1 d . . . . . 
P2 P 0.6238(2) 0.51117(18) 0.4926(4) 0.0247(5) Uani 1 1 d . . . . . 
O1 O 0.7875(6) 0.7782(6) 0.1681(11) 0.0287(16) Uani 1 1 d . . . . . 
O2 O 1.0150(6) 0.6267(5) 0.2272(12) 0.0237(14) Uani 1 1 d . . . . . 
O3 O 0.6656(7) 0.6078(6) 0.3365(14) 0.0373(19) Uani 1 1 d . . . . . 
O4 O 0.6256(6) 0.5342(6) 0.7553(12) 0.0276(15) Uani 1 1 d . . . . . 
O5 O 0.8819(8) 0.6577(9) 0.5823(19) 0.063(3) Uani 1 1 d . U . . . 
O6 O 0.8178(12) 0.9121(7) 0.6032(16) 0.077(4) Uani 1 1 d . . . . . 
O7 O 0.5809(8) 0.8240(10) 0.3537(17) 0.068(3) Uani 1 1 d . . . . . 
O8 O 0.500000 0.500000 0.392(2) 0.081(6) Uani 1 2 d S T P . . 
O9 O 1.0341(9) 0.5023(10) 0.586(2) 0.016(3) Uani 0.5 1 d . U 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 
K1 O1 2.621(7) . ? 
K1 O4 2.769(7) 3_566 ? 
K1 O2 2.779(6) . ? 
K1 O7 2.888(11) 3_565 ? 
K1 O3 2.939(9) 3_565 ? 
K1 O8 3.008(9) 3_565 ? 
K1 O6 3.120(13) 1_554 ? 
K1 O4 3.180(7) 4_656 ? 
K1 O5 3.299(12) 1_554 ? 
K1 P2 3.727(3) 3_565 ? 
K1 P2 3.738(3) 4_655 ? 
K1 P1 3.744(3) 1_554 ? 
K2 O4 2.748(7) 1_554 ? 
K2 O2 2.787(7) 2_765 ? 
K2 O9 2.854(12) 2_764 ? 
K2 O3 2.954(9) . ? 
K2 O6 2.971(12) 4_646 ? 
K2 O2 3.042(7) . ? 
K2 O5 3.078(10) 1_554 ? 
K2 O7 3.125(13) 4_645 ? 
K2 O1 3.152(7) 4_645 ? 
K2 O9 3.407(11) 1_554 ? 
K2 P2 3.677(3) 1_554 ? 
K2 P1 3.780(3) 1_554 ? 
Te1 O1 1.779(6) . ? 
Te1 O3 2.062(7) . ? 
Te1 O7 2.121(8) . ? 
Te1 O5 2.210(9) . ? 
Te1 O6 2.325(8) . ? 
P1 O2 1.473(7) . ? 
P1 O5 1.504(9) . ? 
P1 O7 1.512(9) 3_566 ? 
P1 O9 1.615(12) . ? 
P1 O9 1.630(12) 2_765 ? 
P2 O4 1.479(7) . ? 
P2 O6 1.493(9) 4_646 ? 
P2 O3 1.543(7) . ? 
P2 O8 1.588(5) . ? 
O9 O9 0.82(2) 2_765 ? 
  
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 
O1 K1 O4 119.9(2) . 3_566 ? 
O1 K1 O2 75.5(2) . . ? 
O4 K1 O2 103.0(2) 3_566 . ? 
O1 K1 O7 117.6(2) . 3_565 ? 
O4 K1 O7 118.8(2) 3_566 3_565 ? 
O2 K1 O7 72.7(3) . 3_565 ? 
O1 K1 O3 162.5(2) . 3_565 ? 
O4 K1 O3 72.3(2) 3_566 3_565 ? 
O2 K1 O3 115.7(2) . 3_565 ? 
O7 K1 O3 58.0(2) 3_565 3_565 ? 
O1 K1 O8 118.22(16) . 3_565 ? 
O4 K1 O8 83.5(2) 3_566 3_565 ? 
O2 K1 O8 159.8(2) . 3_565 ? 
O7 K1 O8 87.3(3) 3_565 3_565 ? 
O3 K1 O8 47.54(15) 3_565 3_565 ? 
O1 K1 O6 75.6(3) . 1_554 ? 
O4 K1 O6 122.1(2) 3_566 1_554 ? 
O2 K1 O6 134.3(2) . 1_554 ? 
O7 K1 O6 90.6(3) 3_565 1_554 ? 
O3 K1 O6 87.3(3) 3_565 1_554 ? 
O8 K1 O6 46.7(2) 3_565 1_554 ? 
O1 K1 O4 68.9(2) . 4_656 ? 
O4 K1 O4 62.8(3) 3_566 4_656 ? 
O2 K1 O4 123.16(19) . 4_656 ? 
O7 K1 O4 164.0(3) 3_565 4_656 ? 
O3 K1 O4 111.05(19) 3_565 4_656 ? 
O8 K1 O4 76.9(2) 3_565 4_656 ? 
O6 K1 O4 76.6(2) 1_554 4_656 ? 
O1 K1 O5 77.2(2) . 1_554 ? 
O4 K1 O5 162.8(2) 3_566 1_554 ? 
O2 K1 O5 79.9(2) . 1_554 ? 
O7 K1 O5 45.4(2) 3_565 1_554 ? 
O3 K1 O5 91.1(2) 3_565 1_554 ? 
O8 K1 O5 88.5(2) 3_565 1_554 ? 
O6 K1 O5 59.6(2) 1_554 1_554 ? 
O4 K1 O5 129.9(2) 4_656 1_554 ? 
O1 K1 P2 141.92(16) . 3_565 ? 
O4 K1 P2 76.37(15) 3_566 3_565 ? 
O2 K1 P2 138.02(15) . 3_565 ? 
O7 K1 P2 71.5(2) 3_565 3_565 ? 
O3 K1 P2 23.13(14) 3_565 3_565 ? 
O8 K1 P2 24.41(6) 3_565 3_565 ? 
O6 K1 P2 67.1(2) 1_554 3_565 ? 
O4 K1 P2 94.42(13) 4_656 3_565 ? 
O5 K1 P2 90.14(19) 1_554 3_565 ? 
O1 K1 P2 94.94(16) . 4_655 ? 
O4 K1 P2 101.66(16) 3_566 4_655 ? 
O2 K1 P2 155.16(16) . 4_655 ? 
O7 K1 P2 92.6(3) 3_565 4_655 ? 
O3 K1 P2 69.30(15) 3_565 4_655 ? 
O8 K1 P2 24.28(6) 3_565 4_655 ? 
O6 K1 P2 22.95(18) 1_554 4_655 ? 
O4 K1 P2 71.88(13) 4_656 4_655 ? 
O5 K1 P2 75.61(18) 1_554 4_655 ? 
P2 K1 P2 46.99(8) 3_565 4_655 ? 
O1 K1 P1 98.72(16) . 1_554 ? 
O4 K1 P1 140.10(16) 3_566 1_554 ? 
O2 K1 P1 76.01(14) . 1_554 ? 
O7 K1 P1 21.86(18) 3_565 1_554 ? 
O3 K1 P1 72.63(15) 3_565 1_554 ? 
O8 K1 P1 86.71(19) 3_565 1_554 ? 
O6 K1 P1 74.30(18) 1_554 1_554 ? 
O4 K1 P1 150.46(14) 4_656 1_554 ? 
O5 K1 P1 23.58(16) 1_554 1_554 ? 
P2 K1 P1 78.90(6) 3_565 1_554 ? 
P2 K1 P1 83.07(6) 4_655 1_554 ? 
O4 K2 O2 154.6(2) 1_554 2_765 ? 
O4 K2 O9 97.2(3) 1_554 2_764 ? 
O2 K2 O9 86.4(3) 2_765 2_764 ? 
O4 K2 O3 72.4(2) 1_554 . ? 
O2 K2 O3 113.8(2) 2_765 . ? 
O9 K2 O3 153.2(3) 2_764 . ? 
O4 K2 O6 86.1(3) 1_554 4_646 ? 
O2 K2 O6 81.8(3) 2_765 4_646 ? 
O9 K2 O6 158.0(3) 2_764 4_646 ? 
O3 K2 O6 48.1(2) . 4_646 ? 
O4 K2 O2 141.1(2) 1_554 . ? 
O2 K2 O2 64.3(2) 2_765 . ? 
O9 K2 O2 83.3(3) 2_764 . ? 
O3 K2 O2 89.8(2) . . ? 
O6 K2 O2 107.7(3) 4_646 . ? 
O4 K2 O5 74.8(2) 1_554 1_554 ? 
O2 K2 O5 121.6(2) 2_765 1_554 ? 
O9 K2 O5 43.2(3) 2_764 1_554 ? 
O3 K2 O5 110.1(2) . 1_554 ? 
O6 K2 O5 155.5(3) 4_646 1_554 ? 
O2 K2 O5 79.7(2) . 1_554 ? 
O4 K2 O7 96.5(2) 1_554 4_645 ? 
O2 K2 O7 69.0(2) 2_765 4_645 ? 
O9 K2 O7 43.2(3) 2_764 4_645 ? 
O3 K2 O7 159.1(2) . 4_645 ? 
O6 K2 O7 114.9(2) 4_646 4_645 ? 
O2 K2 O7 109.1(2) . 4_645 ? 
O5 K2 O7 82.9(3) 1_554 4_645 ? 
O4 K2 O1 67.98(19) 1_554 4_645 ? 
O2 K2 O1 86.90(19) 2_765 4_645 ? 
O9 K2 O1 90.4(3) 2_764 4_645 ? 
O3 K2 O1 107.41(19) . 4_645 ? 
O6 K2 O1 70.6(2) 4_646 4_645 ? 
O2 K2 O1 150.77(19) . 4_645 ? 
O5 K2 O1 114.3(3) 1_554 4_645 ? 
O7 K2 O1 51.65(19) 4_645 4_645 ? 
O4 K2 O9 108.0(2) 1_554 1_554 ? 
O2 K2 O9 77.8(2) 2_765 1_554 ? 
O9 K2 O9 11.1(3) 2_764 1_554 ? 
O3 K2 O9 153.2(3) . 1_554 ? 
O6 K2 O9 156.7(3) 4_646 1_554 ? 
O2 K2 O9 73.3(2) . 1_554 ? 
O5 K2 O9 47.5(3) 1_554 1_554 ? 
O7 K2 O9 46.6(3) 4_645 1_554 ? 
O1 K2 O9 96.9(2) 4_645 1_554 ? 
O4 K2 P2 20.86(15) 1_554 1_554 ? 
O2 K2 P2 144.62(15) 2_765 1_554 ? 
O9 K2 P2 77.3(2) 2_764 1_554 ? 
O3 K2 P2 93.06(17) . 1_554 ? 
O6 K2 P2 102.1(3) 4_646 1_554 ? 
O2 K2 P2 141.99(14) . 1_554 ? 
O5 K2 P2 63.7(2) 1_554 1_554 ? 
O7 K2 P2 77.77(18) 4_645 1_554 ? 
O1 K2 P2 62.37(13) 4_645 1_554 ? 
O9 K2 P2 88.3(2) 1_554 1_554 ? 
O4 K2 P1 92.41(16) 1_554 1_554 ? 
O2 K2 P1 100.12(15) 2_765 1_554 ? 
O9 K2 P1 23.6(2) 2_764 1_554 ? 
O3 K2 P1 130.10(15) . 1_554 ? 
O6 K2 P1 178.0(2) 4_646 1_554 ? 
O2 K2 P1 72.71(13) . 1_554 ? 
O5 K2 P1 22.48(17) 1_554 1_554 ? 
O7 K2 P1 66.55(17) 4_645 1_554 ? 
O1 K2 P1 110.00(13) 4_645 1_554 ? 
O9 K2 P1 25.3(2) 1_554 1_554 ? 
P2 K2 P1 76.69(6) 1_554 1_554 ? 
O1 Te1 O3 89.1(3) . . ? 
O1 Te1 O7 88.6(4) . . ? 
O3 Te1 O7 84.9(4) . . ? 
O1 Te1 O5 94.6(3) . . ? 
O3 Te1 O5 88.6(4) . . ? 
O7 Te1 O5 172.8(5) . . ? 
O1 Te1 O6 90.0(3) . . ? 
O3 Te1 O6 178.0(4) . . ? 
O7 Te1 O6 96.9(5) . . ? 
O5 Te1 O6 89.6(5) . . ? 
O1 Te1 K1 74.6(2) . 3_465 ? 
O3 Te1 K1 44.8(2) . 3_465 ? 
O7 Te1 K1 43.8(3) . 3_465 ? 
O5 Te1 K1 131.1(3) . 3_465 ? 
O6 Te1 K1 136.7(3) . 3_465 ? 
O1 Te1 K2 49.0(2) . 4_655 ? 
O3 Te1 K2 111.1(2) . 4_655 ? 
O7 Te1 K2 50.3(4) . 4_655 ? 
O5 Te1 K2 135.8(3) . 4_655 ? 
O6 Te1 K2 69.7(3) . 4_655 ? 
K1 Te1 K2 69.81(4) 3_465 4_655 ? 
O2 P1 O5 118.4(5) . . ? 
O2 P1 O7 115.1(4) . 3_566 ? 
O5 P1 O7 106.6(6) . 3_566 ? 
O2 P1 O9 108.5(5) . . ? 
O5 P1 O9 114.8(6) . . ? 
O7 P1 O9 90.1(6) 3_566 . ? 
O2 P1 O9 113.8(5) . 2_765 ? 
O5 P1 O9 88.8(6) . 2_765 ? 
O7 P1 O9 111.2(6) 3_566 2_765 ? 
O9 P1 O9 29.2(7) . 2_765 ? 
O2 P1 K1 134.8(3) . 1_556 ? 
O5 P1 K1 61.4(5) . 1_556 ? 
O7 P1 K1 45.3(4) 3_566 1_556 ? 
O9 P1 K1 111.1(4) . 1_556 ? 
O9 P1 K1 111.5(4) 2_765 1_556 ? 
O2 P1 K2 147.7(3) . 1_556 ? 
O5 P1 K2 51.5(4) . 1_556 ? 
O7 P1 K2 96.8(3) 3_566 1_556 ? 
O9 P1 K2 64.3(4) . 1_556 ? 
O9 P1 K2 44.4(4) 2_765 1_556 ? 
K1 P1 K2 71.93(6) 1_556 1_556 ? 
O2 P1 K2 38.3(3) . 2_765 ? 
O5 P1 K2 151.3(4) . 2_765 ? 
O7 P1 K2 100.7(4) 3_566 2_765 ? 
O9 P1 K2 73.4(4) . 2_765 ? 
O9 P1 K2 89.7(4) 2_765 2_765 ? 
K1 P1 K2 144.05(7) 1_556 2_765 ? 
K2 P1 K2 134.07(5) 1_556 2_765 ? 
O2 P1 K2 129.6(3) . 2_766 ? 
O5 P1 K2 111.8(4) . 2_766 ? 
O7 P1 K2 50.3(5) 3_566 2_766 ? 
O9 P1 K2 41.1(4) . 2_766 ? 
O9 P1 K2 61.6(4) 2_765 2_766 ? 
K1 P1 K2 74.36(6) 1_556 2_766 ? 
K2 P1 K2 67.42(7) 1_556 2_766 ? 
K2 P1 K2 92.45(6) 2_765 2_766 ? 
O4 P2 O6 119.7(5) . 4_646 ? 
O4 P2 O3 113.6(4) . . ? 
O6 P2 O3 105.5(5) 4_646 . ? 
O4 P2 O8 111.9(5) . . ? 
O6 P2 O8 104.1(6) 4_646 . ? 
O3 P2 O8 100.0(5) . . ? 
O4 P2 K2 41.4(3) . 1_556 ? 
O6 P2 K2 86.5(5) 4_646 1_556 ? 
O3 P2 K2 104.0(3) . 1_556 ? 
O8 P2 K2 150.1(5) . 1_556 ? 
O4 P2 K1 127.8(3) . 3_465 ? 
O6 P2 K1 112.6(4) 4_646 3_465 ? 
O3 P2 K1 48.4(3) . 3_465 ? 
O8 P2 K1 51.5(3) . 3_465 ? 
K2 P2 K1 148.82(8) 1_556 3_465 ? 
O4 P2 K1 145.5(3) . 4_645 ? 
O6 P2 K1 54.6(5) 4_646 4_645 ? 
O3 P2 K1 99.9(3) . 4_645 ? 
O8 P2 K1 51.2(3) . 4_645 ? 
K2 P2 K1 138.65(8) 1_556 4_645 ? 
K1 P2 K1 69.43(7) 3_465 4_645 ? 
O4 P2 K1 35.1(3) . 3_466 ? 
O6 P2 K1 151.9(4) 4_646 3_466 ? 
O3 P2 K1 99.2(3) . 3_466 ? 
O8 P2 K1 84.2(4) . 3_466 ? 
K2 P2 K1 74.61(6) 1_556 3_466 ? 
K1 P2 K1 93.78(7) 3_465 3_466 ? 
K1 P2 K1 133.74(7) 4_645 3_466 ? 
O4 P2 K1 52.5(3) . 4_646 ? 
O6 P2 K1 87.0(4) 4_646 4_646 ? 
O3 P2 K1 165.5(3) . 4_646 ? 
O8 P2 K1 83.8(4) . 4_646 ? 
K2 P2 K1 68.67(6) 1_556 4_646 ? 
K1 P2 K1 133.75(7) 3_465 4_646 ? 
K1 P2 K1 93.42(7) 4_645 4_646 ? 
K1 P2 K1 67.01(7) 3_466 4_646 ? 
Te1 O1 K1 134.6(3) . . ? 
Te1 O1 K2 105.8(3) . 4_655 ? 
K1 O1 K2 94.4(2) . 4_655 ? 
P1 O2 K1 118.6(3) . . ? 
P1 O2 K2 122.6(4) . 2_765 ? 
K1 O2 K2 111.5(2) . 2_765 ? 
P1 O2 K2 104.7(3) . . ? 
K1 O2 K2 98.7(2) . . ? 
K2 O2 K2 93.3(2) 2_765 . ? 
P2 O3 Te1 126.1(5) . . ? 
P2 O3 K1 108.5(4) . 3_465 ? 
Te1 O3 K1 105.6(3) . 3_465 ? 
P2 O3 K2 102.8(4) . . ? 
Te1 O3 K2 109.8(3) . . ? 
K1 O3 K2 101.4(2) 3_465 . ? 
P2 O4 K2 117.7(4) . 1_556 ? 
P2 O4 K1 127.0(4) . 3_466 ? 
K2 O4 K1 111.5(2) 1_556 3_466 ? 
P2 O4 K1 105.8(3) . 4_646 ? 
K2 O4 K1 91.4(2) 1_556 4_646 ? 
K1 O4 K1 90.9(2) 3_466 4_646 ? 
P1 O5 Te1 140.0(6) . . ? 
P1 O5 K2 106.0(5) . 1_556 ? 
Te1 O5 K2 111.3(4) . 1_556 ? 
P1 O5 K1 95.0(5) . 1_556 ? 
Te1 O5 K1 100.4(4) . 1_556 ? 
K2 O5 K1 87.6(3) 1_556 1_556 ? 
P2 O6 Te1 139.6(5) 4_656 . ? 
P2 O6 K2 103.5(5) 4_656 4_656 ? 
Te1 O6 K2 107.9(4) . 4_656 ? 
P2 O6 K1 102.5(6) 4_656 1_556 ? 
Te1 O6 K1 103.0(4) . 1_556 ? 
K2 O6 K1 88.5(2) 4_656 1_556 ? 
P1 O7 Te1 128.0(5) 3_466 . ? 
P1 O7 K1 112.8(5) 3_466 3_465 ? 
Te1 O7 K1 105.7(4) . 3_465 ? 
P1 O7 K2 107.8(6) 3_466 4_655 ? 
Te1 O7 K2 98.2(4) . 4_655 ? 
K1 O7 K2 99.8(3) 3_465 4_655 ? 
P2 O8 P2 139.1(9) . 2_665 ? 
P2 O8 K1 104.6(3) . 4_645 ? 
P2 O8 K1 104.0(3) 2_665 4_645 ? 
P2 O8 K1 104.0(3) . 3_465 ? 
P2 O8 K1 104.6(3) 2_665 3_465 ? 
K1 O8 K1 89.9(4) 4_645 3_465 ? 
O9 O9 P1 76.4(16) 2_765 . ? 
O9 O9 P1 74.4(16) 2_765 2_765 ? 
P1 O9 P1 130.9(7) . 2_765 ? 
O9 O9 K2 126.7(3) 2_765 2_766 ? 
P1 O9 K2 117.1(6) . 2_766 ? 
P1 O9 K2 112.0(6) 2_765 2_766 ? 
O9 O9 K2 42.2(2) 2_765 1_556 ? 
P1 O9 K2 90.4(4) . 1_556 ? 
P1 O9 K2 93.5(5) 2_765 1_556 ? 
K2 O9 K2 84.9(3) 2_766 1_556 ? 
  
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
O3 Te1 O1 K1 -127.6(5) . . . . ? 
O7 Te1 O1 K1 147.5(5) . . . . ? 
O5 Te1 O1 K1 -39.0(5) . . . . ? 
O6 Te1 O1 K1 50.5(6) . . . . ? 
K1 Te1 O1 K1 -170.5(5) 3_465 . . . ? 
K2 Te1 O1 K1 113.1(5) 4_655 . . . ? 
O3 Te1 O1 K2 119.3(3) . . . 4_655 ? 
O7 Te1 O1 K2 34.4(4) . . . 4_655 ? 
O5 Te1 O1 K2 -152.1(4) . . . 4_655 ? 
O6 Te1 O1 K2 -62.5(4) . . . 4_655 ? 
K1 Te1 O1 K2 76.4(2) 3_465 . . 4_655 ? 
O5 P1 O2 K1 54.9(7) . . . . ? 
O7 P1 O2 K1 -72.8(7) 3_566 . . . ? 
O9 P1 O2 K1 -172.0(5) . . . . ? 
O9 P1 O2 K1 157.1(5) 2_765 . . . ? 
K1 P1 O2 K1 -21.8(6) 1_556 . . . ? 
K2 P1 O2 K1 116.9(4) 1_556 . . . ? 
K2 P1 O2 K1 -147.4(6) 2_765 . . . ? 
K2 P1 O2 K1 -131.0(2) 2_766 . . . ? 
O5 P1 O2 K2 -157.7(6) . . . 2_765 ? 
O7 P1 O2 K2 74.6(7) 3_566 . . 2_765 ? 
O9 P1 O2 K2 -24.5(6) . . . 2_765 ? 
O9 P1 O2 K2 -55.4(6) 2_765 . . 2_765 ? 
K1 P1 O2 K2 125.7(3) 1_556 . . 2_765 ? 
K2 P1 O2 K2 -95.6(5) 1_556 . . 2_765 ? 
K2 P1 O2 K2 16.5(6) 2_766 . . 2_765 ? 
O5 P1 O2 K2 -53.8(6) . . . . ? 
O7 P1 O2 K2 178.5(6) 3_566 . . . ? 
O9 P1 O2 K2 79.3(5) . . . . ? 
O9 P1 O2 K2 48.4(5) 2_765 . . . ? 
K1 P1 O2 K2 -130.5(2) 1_556 . . . ? 
K2 P1 O2 K2 8.2(6) 1_556 . . . ? 
K2 P1 O2 K2 103.8(4) 2_765 . . . ? 
K2 P1 O2 K2 120.3(2) 2_766 . . . ? 
O4 P2 O3 Te1 6.1(8) . . . . ? 
O6 P2 O3 Te1 -126.8(7) 4_646 . . . ? 
O8 P2 O3 Te1 125.4(6) . . . . ? 
K2 P2 O3 Te1 -36.6(6) 1_556 . . . ? 
K1 P2 O3 Te1 126.6(8) 3_465 . . . ? 
K1 P2 O3 Te1 177.4(5) 4_645 . . . ? 
K1 P2 O3 Te1 39.7(6) 3_466 . . . ? 
K1 P2 O3 Te1 21.4(19) 4_646 . . . ? 
O4 P2 O3 K1 -120.4(4) . . . 3_465 ? 
O6 P2 O3 K1 106.7(6) 4_646 . . 3_465 ? 
O8 P2 O3 K1 -1.2(5) . . . 3_465 ? 
K2 P2 O3 K1 -163.2(2) 1_556 . . 3_465 ? 
K1 P2 O3 K1 50.8(3) 4_645 . . 3_465 ? 
K1 P2 O3 K1 -86.8(3) 3_466 . . 3_465 ? 
K1 P2 O3 K1 -105.2(13) 4_646 . . 3_465 ? 
O4 P2 O3 K2 132.7(4) . . . . ? 
O6 P2 O3 K2 -0.2(6) 4_646 . . . ? 
O8 P2 O3 K2 -108.0(4) . . . . ? 
K2 P2 O3 K2 90.0(2) 1_556 . . . ? 
K1 P2 O3 K2 -106.9(4) 3_465 . . . ? 
K1 P2 O3 K2 -56.0(3) 4_645 . . . ? 
K1 P2 O3 K2 166.29(19) 3_466 . . . ? 
K1 P2 O3 K2 148.0(12) 4_646 . . . ? 
O6 P2 O4 K2 41.1(8) 4_646 . . 1_556 ? 
O3 P2 O4 K2 -84.6(5) . . . 1_556 ? 
O8 P2 O4 K2 163.2(2) . . . 1_556 ? 
K1 P2 O4 K2 -139.3(2) 3_465 . . 1_556 ? 
K1 P2 O4 K2 110.7(5) 4_645 . . 1_556 ? 
K1 P2 O4 K2 -156.2(7) 3_466 . . 1_556 ? 
K1 P2 O4 K2 100.2(4) 4_646 . . 1_556 ? 
O6 P2 O4 K1 -162.7(7) 4_646 . . 3_466 ? 
O3 P2 O4 K1 71.6(6) . . . 3_466 ? 
O8 P2 O4 K1 -40.6(5) . . . 3_466 ? 
K2 P2 O4 K1 156.2(7) 1_556 . . 3_466 ? 
K1 P2 O4 K1 16.9(6) 3_465 . . 3_466 ? 
K1 P2 O4 K1 -93.1(6) 4_645 . . 3_466 ? 
K1 P2 O4 K1 -103.6(5) 4_646 . . 3_466 ? 
O6 P2 O4 K1 -59.1(7) 4_646 . . 4_646 ? 
O3 P2 O4 K1 175.2(4) . . . 4_646 ? 
O8 P2 O4 K1 63.0(3) . . . 4_646 ? 
K2 P2 O4 K1 -100.2(4) 1_556 . . 4_646 ? 
K1 P2 O4 K1 120.5(2) 3_465 . . 4_646 ? 
K1 P2 O4 K1 10.5(7) 4_645 . . 4_646 ? 
K1 P2 O4 K1 103.6(5) 3_466 . . 4_646 ? 
O2 P1 O5 Te1 -15.4(14) . . . . ? 
O7 P1 O5 Te1 116.3(11) 3_566 . . . ? 
O9 P1 O5 Te1 -145.7(10) . . . . ? 
O9 P1 O5 Te1 -131.9(11) 2_765 . . . ? 
K1 P1 O5 Te1 112.8(12) 1_556 . . . ? 
K2 P1 O5 Te1 -158.3(14) 1_556 . . . ? 
K2 P1 O5 Te1 -44.8(18) 2_765 . . . ? 
K2 P1 O5 Te1 169.5(9) 2_766 . . . ? 
O2 P1 O5 K2 142.9(4) . . . 1_556 ? 
O7 P1 O5 K2 -85.5(6) 3_566 . . 1_556 ? 
O9 P1 O5 K2 12.6(7) . . . 1_556 ? 
O9 P1 O5 K2 26.4(6) 2_765 . . 1_556 ? 
K1 P1 O5 K2 -89.0(4) 1_556 . . 1_556 ? 
K2 P1 O5 K2 113.5(7) 2_765 . . 1_556 ? 
K2 P1 O5 K2 -32.2(5) 2_766 . . 1_556 ? 
O2 P1 O5 K1 -128.1(4) . . . 1_556 ? 
O7 P1 O5 K1 3.5(6) 3_566 . . 1_556 ? 
O9 P1 O5 K1 101.5(6) . . . 1_556 ? 
O9 P1 O5 K1 115.3(5) 2_765 . . 1_556 ? 
K2 P1 O5 K1 89.0(4) 1_556 . . 1_556 ? 
K2 P1 O5 K1 -157.5(6) 2_765 . . 1_556 ? 
K2 P1 O5 K1 56.7(4) 2_766 . . 1_556 ? 
O4 P2 O8 P2 -11.6(3) . . . 2_665 ? 
O6 P2 O8 P2 119.0(4) 4_646 . . 2_665 ? 
O3 P2 O8 P2 -132.2(3) . . . 2_665 ? 
K2 P2 O8 P2 10.9(2) 1_556 . . 2_665 ? 
K1 P2 O8 P2 -133.3(3) 3_465 . . 2_665 ? 
K1 P2 O8 P2 133.1(3) 4_645 . . 2_665 ? 
K1 P2 O8 P2 -33.75(4) 3_466 . . 2_665 ? 
K1 P2 O8 P2 33.67(4) 4_646 . . 2_665 ? 
O4 P2 O8 K1 -144.8(4) . . . 4_645 ? 
O6 P2 O8 K1 -14.1(5) 4_646 . . 4_645 ? 
O3 P2 O8 K1 94.7(4) . . . 4_645 ? 
K2 P2 O8 K1 -122.2(5) 1_556 . . 4_645 ? 
K1 P2 O8 K1 93.6(5) 3_465 . . 4_645 ? 
K1 P2 O8 K1 -166.9(3) 3_466 . . 4_645 ? 
K1 P2 O8 K1 -99.4(2) 4_646 . . 4_645 ? 
O4 P2 O8 K1 121.6(4) . . . 3_465 ? 
O6 P2 O8 K1 -107.8(4) 4_646 . . 3_465 ? 
O3 P2 O8 K1 1.1(5) . . . 3_465 ? 
K2 P2 O8 K1 144.2(2) 1_556 . . 3_465 ? 
K1 P2 O8 K1 -93.6(5) 4_645 . . 3_465 ? 
K1 P2 O8 K1 99.5(2) 3_466 . . 3_465 ? 
K1 P2 O8 K1 166.9(3) 4_646 . . 3_465 ? 
O2 P1 O9 O9 -105.7(6) . . . 2_765 ? 
O5 P1 O9 O9 29.3(8) . . . 2_765 ? 
O7 P1 O9 O9 137.6(7) 3_566 . . 2_765 ? 
K1 P1 O9 O9 96.5(6) 1_556 . . 2_765 ? 
K2 P1 O9 O9 40.2(5) 1_556 . . 2_765 ? 
K2 P1 O9 O9 -121.3(6) 2_765 . . 2_765 ? 
K2 P1 O9 O9 124.6(7) 2_766 . . 2_765 ? 
O2 P1 O9 P1 -50.9(10) . . . 2_765 ? 
O5 P1 O9 P1 84.1(11) . . . 2_765 ? 
O7 P1 O9 P1 -167.5(9) 3_566 . . 2_765 ? 
O9 P1 O9 P1 54.8(11) 2_765 . . 2_765 ? 
K1 P1 O9 P1 151.3(8) 1_556 . . 2_765 ? 
K2 P1 O9 P1 95.0(9) 1_556 . . 2_765 ? 
K2 P1 O9 P1 -66.4(8) 2_765 . . 2_765 ? 
K2 P1 O9 P1 179.4(13) 2_766 . . 2_765 ? 
O2 P1 O9 K2 129.7(5) . . . 2_766 ? 
O5 P1 O9 K2 -95.3(7) . . . 2_766 ? 
O7 P1 O9 K2 13.1(6) 3_566 . . 2_766 ? 
O9 P1 O9 K2 -124.6(7) 2_765 . . 2_766 ? 
K1 P1 O9 K2 -28.1(6) 1_556 . . 2_766 ? 
K2 P1 O9 K2 -84.4(5) 1_556 . . 2_766 ? 
K2 P1 O9 K2 114.1(5) 2_765 . . 2_766 ? 
O2 P1 O9 K2 -145.9(3) . . . 1_556 ? 
O5 P1 O9 K2 -10.9(6) . . . 1_556 ? 
O7 P1 O9 K2 97.5(4) 3_566 . . 1_556 ? 
O9 P1 O9 K2 -40.2(5) 2_765 . . 1_556 ? 
K1 P1 O9 K2 56.3(3) 1_556 . . 1_556 ? 
K2 P1 O9 K2 -161.4(3) 2_765 . . 1_556 ? 
K2 P1 O9 K2 84.4(5) 2_766 . . 1_556 ? 
  
_refine_diff_density_max    1.341 
_refine_diff_density_min   -1.584 
_refine_diff_density_rms    0.166 
  
  
  
