 
data_ottoite
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'O5 Pb2 Te' 
_chemical_formula_weight          621.98 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'Pb'  'Pb'  -3.3944  10.1111 
 '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' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            ? 
_symmetry_space_group_name_H-M    ? 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, y, -z' 
 'x+1/2, y+1/2, z+1/2' 
 '-x+1, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x-1/2, -y, z' 
 '-x+1/2, -y+1/2, -z+1/2' 
 'x, -y+1/2, z+1/2' 
 
_cell_length_a                    7.5353(6) 
_cell_length_b                    5.7142(5) 
_cell_length_c                    10.8981(12) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  91.330(6) 
_cell_angle_gamma                 90.00 
_cell_volume                      469.13(8) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           0.05 
_exptl_crystal_size_mid           0.04 
_exptl_crystal_size_min           0.01 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     8.806 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1024 
_exptl_absorpt_coefficient_mu     77.696 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   0.1278 
_exptl_absorpt_correction_T_max   0.5105 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71075 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   ? 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             4074 
_diffrn_reflns_av_R_equivalents   0.0431 
_diffrn_reflns_av_sigmaI/netI     0.0270 
_diffrn_reflns_limit_h_min        -8 
_diffrn_reflns_limit_h_max        9 
_diffrn_reflns_limit_k_min        -7 
_diffrn_reflns_limit_k_max        7 
_diffrn_reflns_limit_l_min        -14 
_diffrn_reflns_limit_l_max        14 
_diffrn_reflns_theta_min          4.03 
_diffrn_reflns_theta_max          27.49 
_reflns_number_total              535 
_reflns_number_gt                 427 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_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)+(0.0160P)²+1.9818P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          535 
_refine_ls_number_parameters      40 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0273 
_refine_ls_R_factor_gt            0.0198 
_refine_ls_wR_factor_ref          0.0508 
_refine_ls_wR_factor_gt           0.0477 
_refine_ls_goodness_of_fit_ref    1.072 
_refine_ls_restrained_S_all       1.072 
_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 
Pb Pb 0.34125(3) 0.00490(4) 0.33909(2) 0.01251(14) Uani 1 1 d . . . 
Te Te 0.5000 0.5000 0.5000 0.00633(16) Uani 1 2 d S . . 
O1 O 0.5726(6) 0.7973(7) 0.4417(5) 0.0129(10) Uani 1 1 d . . . 
O2 O 0.4653(6) 0.3854(8) 0.3373(5) 0.0140(10) Uani 1 1 d . . . 
O3 O 0.2500 0.6256(10) 0.5000 0.0100(14) 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 
Pb O2 2.367(4) . ? 
Pb O1 2.367(4) 1_545 ? 
Pb O2 2.533(5) 4_545 ? 
Pb O1 2.595(4) 6_565 ? 
Pb O1 2.708(5) 5_666 ? 
Pb O3 2.881(4) 1_545 ? 
Pb O2 3.036(5) 7 ? 
Pb Te 3.5232(3) . ? 
Pb O1 3.559(5) 4_545 ? 
Pb Te 3.5683(3) 1_545 ? 
Pb O2 3.605(5) 6 ? 
Pb Pb 3.6584(5) 7 ? 
Pb O2 3.661(5) 1_545 ? 
Pb Pb 3.7448(5) 7_545 ? 
Pb Pb 3.7680(3) 6_655 ? 
Pb Pb 3.7681(3) 6 ? 
Pb Pb 3.7968(6) 2_556 ? 
Pb O3 3.8167(12) 7 ? 
Pb Te 3.9107(5) 4_545 ? 
Pb O3 4.023(5) . ? 
Te O1 1.899(4) . ? 
Te O1 1.899(4) 5_666 ? 
Te O2 1.902(5) . ? 
Te O2 1.902(5) 5_666 ? 
Te O3 2.016(2) 5_666 ? 
Te O3 2.016(2) . ? 
Te Pb 3.5232(3) 5_666 ? 
Te Pb 3.5683(3) 1_565 ? 
Te Pb 3.5683(3) 5_656 ? 
Te Pb 3.9107(5) 4 ? 
Te Pb 3.9107(5) 8 ? 
O1 Pb 2.367(4) 1_565 ? 
O1 Pb 2.595(4) 6_665 ? 
O1 Pb 2.708(5) 5_666 ? 
O1 Pb 3.560(5) 4 ? 
O1 Pb 4.145(5) 2_566 ? 
O2 Pb 2.533(5) 4 ? 
O2 Pb 3.036(5) 7 ? 
O2 Pb 3.605(5) 6_655 ? 
O2 Pb 3.661(5) 1_565 ? 
O3 Te 2.016(2) 2_556 ? 
O3 Pb 2.881(4) 1_565 ? 
O3 Pb 2.881(4) 2_566 ? 
O3 Pb 3.8167(12) 7 ? 
O3 Pb 3.8167(12) 8 ? 
O3 Pb 4.023(5) 2_556 ? 
O3 Pb 4.095(3) 6_565 ? 
O3 Pb 4.095(3) 5_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 
O2 Pb O1 100.24(15) . 1_545 ? 
O2 Pb O2 90.40(11) . 4_545 ? 
O1 Pb O2 78.06(16) 1_545 4_545 ? 
O2 Pb O1 85.16(15) . 6_565 ? 
O1 Pb O1 126.0(2) 1_545 6_565 ? 
O2 Pb O1 155.93(16) 4_545 6_565 ? 
O2 Pb O1 62.43(15) . 5_666 ? 
O1 Pb O1 68.51(17) 1_545 5_666 ? 
O2 Pb O1 130.65(14) 4_545 5_666 ? 
O1 Pb O1 67.15(17) 6_565 5_666 ? 
O2 Pb O3 142.74(13) . 1_545 ? 
O1 Pb O3 61.25(10) 1_545 1_545 ? 
O2 Pb O3 114.13(13) 4_545 1_545 ? 
O1 Pb O3 82.28(12) 6_565 1_545 ? 
O1 Pb O3 80.37(11) 5_666 1_545 ? 
O2 Pb O2 95.73(13) . 7 ? 
O1 Pb O2 160.64(14) 1_545 7 ? 
O2 Pb O2 91.03(15) 4_545 7 ? 
O1 Pb O2 65.99(14) 6_565 7 ? 
O1 Pb O2 129.48(12) 5_666 7 ? 
O3 Pb O2 110.60(9) 1_545 7 ? 
O2 Pb Te 30.33(12) . . ? 
O1 Pb Te 85.96(11) 1_545 . ? 
O2 Pb Te 113.54(11) 4_545 . ? 
O1 Pb Te 72.24(9) 6_565 . ? 
O1 Pb Te 32.23(9) 5_666 . ? 
O3 Pb Te 112.59(7) 1_545 . ? 
O2 Pb Te 113.20(8) 7 . ? 
O2 Pb O1 58.79(14) . 4_545 ? 
O1 Pb O1 119.62(9) 1_545 4_545 ? 
O2 Pb O1 49.79(12) 4_545 4_545 ? 
O1 Pb O1 109.02(11) 6_565 4_545 ? 
O1 Pb O1 121.17(6) 5_666 4_545 ? 
O3 Pb O1 158.01(10) 1_545 4_545 ? 
O2 Pb O1 60.66(11) 7 4_545 ? 
Te Pb O1 89.10(7) . 4_545 ? 
O2 Pb Te 128.23(12) . 1_545 ? 
O1 Pb Te 29.31(10) 1_545 1_545 ? 
O2 Pb Te 87.87(10) 4_545 1_545 ? 
O1 Pb Te 113.36(11) 6_565 1_545 ? 
O1 Pb Te 80.39(9) 5_666 1_545 ? 
O3 Pb Te 34.38(4) 1_545 1_545 ? 
O2 Pb Te 136.02(8) 7 1_545 ? 
Te Pb Te 107.372(10) . 1_545 ? 
O1 Pb Te 137.41(7) 4_545 1_545 ? 
O2 Pb O2 151.47(15) . 6 ? 
O1 Pb O2 105.21(12) 1_545 6 ? 
O2 Pb O2 107.17(11) 4_545 6 ? 
O1 Pb O2 69.57(12) 6_565 6 ? 
O1 Pb O2 115.80(12) 5_666 6 ? 
O3 Pb O2 48.65(8) 1_545 6 ? 
O2 Pb O2 62.49(9) 7 6 ? 
Te Pb O2 139.21(8) . 6 ? 
O1 Pb O2 116.41(10) 4_545 6 ? 
Te Pb O2 75.93(7) 1_545 6 ? 
O2 Pb Pb 55.66(12) . 7 ? 
O1 Pb Pb 153.88(10) 1_545 7 ? 
O2 Pb Pb 91.11(10) 4_545 7 ? 
O1 Pb Pb 66.91(11) 6_565 7 ? 
O1 Pb Pb 103.19(9) 5_666 7 ? 
O3 Pb Pb 143.80(3) 1_545 7 ? 
O2 Pb Pb 40.07(8) 7 7 ? 
Te Pb Pb 76.612(10) . 7 ? 
O1 Pb Pb 42.11(7) 4_545 7 ? 
Te Pb Pb 175.962(11) 1_545 7 ? 
O2 Pb Pb 100.67(7) 6 7 ? 
O2 Pb O2 141.93(18) . 1_545 ? 
O1 Pb O2 48.15(13) 1_545 1_545 ? 
O2 Pb O2 65.41(14) 4_545 1_545 ? 
O1 Pb O2 128.70(12) 6_565 1_545 ? 
O1 Pb O2 110.62(11) 5_666 1_545 ? 
O3 Pb O2 48.74(10) 1_545 1_545 ? 
O2 Pb O2 112.75(9) 7 1_545 ? 
Te Pb O2 134.05(7) . 1_545 ? 
O1 Pb O2 113.43(10) 4_545 1_545 ? 
Te Pb O2 30.48(8) 1_545 1_545 ? 
O2 Pb O2 66.58(5) 6 1_545 ? 
Pb Pb O2 146.13(8) 7 1_545 ? 
O2 Pb Pb 148.28(12) . 7_545 ? 
O1 Pb Pb 96.47(11) 1_545 7_545 ? 
O2 Pb Pb 66.90(11) 4_545 7_545 ? 
O1 Pb Pb 106.35(9) 6_565 7_545 ? 
O1 Pb Pb 149.29(9) 5_666 7_545 ? 
O3 Pb Pb 68.93(6) 1_545 7_545 ? 
O2 Pb Pb 64.37(8) 7 7_545 ? 
Te Pb Pb 177.567(10) . 7_545 ? 
O1 Pb Pb 89.51(7) 4_545 7_545 ? 
Te Pb Pb 74.974(10) 1_545 7_545 ? 
O2 Pb Pb 40.26(8) 6 7_545 ? 
Pb Pb Pb 101.034(14) 7 7_545 ? 
O2 Pb Pb 48.38(7) 1_545 7_545 ? 
O2 Pb Pb 67.58(11) . 6_655 ? 
O1 Pb Pb 42.90(10) 1_545 6_655 ? 
O2 Pb Pb 53.34(11) 4_545 6_655 ? 
O1 Pb Pb 142.82(10) 6_565 6_655 ? 
O1 Pb Pb 77.69(9) 5_666 6_655 ? 
O3 Pb Pb 103.98(3) 1_545 6_655 ? 
O2 Pb Pb 138.51(9) 7 6_655 ? 
Te Pb Pb 71.578(7) . 6_655 ? 
O1 Pb Pb 78.73(7) 4_545 6_655 ? 
Te Pb Pb 70.378(7) 1_545 6_655 ? 
O2 Pb Pb 140.93(7) 6 6_655 ? 
Pb Pb Pb 112.019(11) 7 6_655 ? 
O2 Pb Pb 74.35(7) 1_545 6_655 ? 
Pb Pb Pb 110.096(10) 7_545 6_655 ? 
O2 Pb Pb 114.12(11) . 6 ? 
O1 Pb Pb 135.86(10) 1_545 6 ? 
O2 Pb Pb 126.09(11) 4_545 6 ? 
O1 Pb Pb 38.39(10) 6_565 6 ? 
O1 Pb Pb 103.03(9) 5_666 6 ? 
O3 Pb Pb 74.70(2) 1_545 6 ? 
O2 Pb Pb 42.02(9) 7 6 ? 
Te Pb Pb 109.869(8) . 6 ? 
O1 Pb Pb 102.09(7) 4_545 6 ? 
Te Pb Pb 108.167(8) 1_545 6 ? 
O2 Pb Pb 37.37(7) 6 6 ? 
Pb Pb Pb 69.381(8) 7 6 ? 
O2 Pb Pb 103.94(7) 1_545 6 ? 
Pb Pb Pb 68.488(8) 7_545 6 ? 
Pb Pb Pb 178.298(13) 6_655 6 ? 
O2 Pb Pb 99.16(12) . 2_556 ? 
O1 Pb Pb 80.92(12) 1_545 2_556 ? 
O2 Pb Pb 158.15(10) 4_545 2_556 ? 
O1 Pb Pb 45.49(11) 6_565 2_556 ? 
O1 Pb Pb 43.09(9) 5_666 2_556 ? 
O3 Pb Pb 48.78(8) 1_545 2_556 ? 
O2 Pb Pb 107.36(9) 7 2_556 ? 
Te Pb Pb 70.506(7) . 2_556 ? 
O1 Pb Pb 150.62(7) 4_545 2_556 ? 
Te Pb Pb 70.763(7) 1_545 2_556 ? 
O2 Pb Pb 72.76(8) 6 2_556 ? 
Pb Pb Pb 110.522(10) 7 2_556 ? 
O2 Pb Pb 95.90(8) 1_545 2_556 ? 
Pb Pb Pb 110.028(10) 7_545 2_556 ? 
Pb Pb Pb 112.556(9) 6_655 2_556 ? 
Pb Pb Pb 67.443(9) 6 2_556 ? 
O2 Pb O3 103.52(14) . 7 ? 
O1 Pb O3 118.26(13) 1_545 7 ? 
O2 Pb O3 46.09(11) 4_545 7 ? 
O1 Pb O3 112.18(12) 6_565 7 ? 
O1 Pb O3 165.87(12) 5_666 7 ? 
O3 Pb O3 113.712(18) 1_545 7 ? 
O2 Pb O3 46.37(10) 7 7 ? 
Te Pb O3 133.65(8) . 7 ? 
O1 Pb O3 44.90(10) 4_545 7 ? 
Te Pb O3 111.63(8) 1_545 7 ? 
O2 Pb O3 75.52(9) 6 7 ? 
Pb Pb O3 65.08(8) 7 7 ? 
O2 Pb O3 81.15(11) 1_545 7 ? 
Pb Pb O3 44.78(8) 7_545 7 ? 
Pb Pb O3 98.903(8) 6_655 7 ? 
Pb Pb O3 80.761(7) 6 7 ? 
Pb Pb O3 146.45(3) 2_556 7 ? 
O2 Pb Te 82.49(12) . 4_545 ? 
O1 Pb Te 101.82(12) 1_545 4_545 ? 
O2 Pb Te 24.06(10) 4_545 4_545 ? 
O1 Pb Te 132.01(11) 6_565 4_545 ? 
O1 Pb Te 139.83(9) 5_666 4_545 ? 
O3 Pb Te 130.72(8) 1_545 4_545 ? 
O2 Pb Te 69.39(9) 7 4_545 ? 
Te Pb Te 111.612(7) . 4_545 ? 
O1 Pb Te 28.96(7) 4_545 4_545 ? 
Te Pb Te 110.622(7) 1_545 4_545 ? 
O2 Pb Te 104.36(8) 6 4_545 ? 
Pb Pb Te 67.875(8) 7 4_545 ? 
O2 Pb Te 84.51(8) 1_545 4_545 ? 
Pb Pb Te 67.737(8) 7_545 4_545 ? 
Pb Pb Te 70.860(7) 6_655 4_545 ? 
Pb Pb Te 109.129(7) 6 4_545 ? 
Pb Pb Te 176.554(10) 2_556 4_545 ? 
O3 Pb Te 30.21(3) 7 4_545 ? 
O2 Pb O3 42.71(12) . . ? 
O1 Pb O3 111.55(12) 1_545 . ? 
O2 Pb O3 132.50(11) 4_545 . ? 
O1 Pb O3 44.37(9) 6_565 . ? 
O1 Pb O3 44.56(9) 5_666 . ? 
O3 Pb O3 110.63(4) 1_545 . ? 
O2 Pb O3 87.64(9) 7 . ? 
Te Pb O3 30.066(8) . . ? 
O1 Pb O3 89.85(8) 4_545 . ? 
Te Pb O3 123.88(3) 1_545 . ? 
O2 Pb O3 113.92(8) 6 . ? 
Pb Pb O3 59.36(3) 7 . ? 
O2 Pb O3 154.28(8) 1_545 . ? 
Pb Pb O3 147.935(11) 7_545 . ? 
Pb Pb O3 101.192(16) 6_655 . ? 
Pb Pb O3 80.333(15) 6 . ? 
Pb Pb O3 61.84(4) 2_556 . ? 
O3 Pb O3 124.44(5) 7 . ? 
Te Pb O3 118.51(4) 4_545 . ? 
O1 Te O1 180.0 . 5_666 ? 
O1 Te O2 91.7(2) . . ? 
O1 Te O2 88.3(2) 5_666 . ? 
O1 Te O2 88.3(2) . 5_666 ? 
O1 Te O2 91.7(2) 5_666 5_666 ? 
O2 Te O2 180.000(1) . 5_666 ? 
O1 Te O3 92.42(19) . 5_666 ? 
O1 Te O3 87.58(19) 5_666 5_666 ? 
O2 Te O3 89.19(15) . 5_666 ? 
O2 Te O3 90.81(15) 5_666 5_666 ? 
O1 Te O3 87.58(19) . . ? 
O1 Te O3 92.42(19) 5_666 . ? 
O2 Te O3 90.81(15) . . ? 
O2 Te O3 89.19(15) 5_666 . ? 
O3 Te O3 179.999(1) 5_666 . ? 
O1 Te Pb 49.53(16) . 5_666 ? 
O1 Te Pb 130.47(16) 5_666 5_666 ? 
O2 Te Pb 141.08(14) . 5_666 ? 
O2 Te Pb 38.92(14) 5_666 5_666 ? 
O3 Te Pb 88.82(13) 5_666 5_666 ? 
O3 Te Pb 91.18(13) . 5_666 ? 
O1 Te Pb 130.47(16) . . ? 
O1 Te Pb 49.53(16) 5_666 . ? 
O2 Te Pb 38.92(14) . . ? 
O2 Te Pb 141.08(14) 5_666 . ? 
O3 Te Pb 91.18(13) 5_666 . ? 
O3 Te Pb 88.82(13) . . ? 
Pb Te Pb 180.0 5_666 . ? 
O1 Te Pb 37.62(13) . 1_565 ? 
O1 Te Pb 142.38(13) 5_666 1_565 ? 
O2 Te Pb 77.46(14) . 1_565 ? 
O2 Te Pb 102.54(14) 5_666 1_565 ? 
O3 Te Pb 126.19(12) 5_666 1_565 ? 
O3 Te Pb 53.81(12) . 1_565 ? 
Pb Te Pb 72.628(9) 5_666 1_565 ? 
Pb Te Pb 107.372(10) . 1_565 ? 
O1 Te Pb 142.38(13) . 5_656 ? 
O1 Te Pb 37.62(13) 5_666 5_656 ? 
O2 Te Pb 102.54(14) . 5_656 ? 
O2 Te Pb 77.46(14) 5_666 5_656 ? 
O3 Te Pb 53.81(12) 5_666 5_656 ? 
O3 Te Pb 126.19(12) . 5_656 ? 
Pb Te Pb 107.372(10) 5_666 5_656 ? 
Pb Te Pb 72.628(9) . 5_656 ? 
Pb Te Pb 180.0 1_565 5_656 ? 
O1 Te Pb 65.20(15) . 4 ? 
O1 Te Pb 114.80(15) 5_666 4 ? 
O2 Te Pb 32.89(14) . 4 ? 
O2 Te Pb 147.11(14) 5_666 4 ? 
O3 Te Pb 72.31(2) 5_666 4 ? 
O3 Te Pb 107.69(2) . 4 ? 
Pb Te Pb 110.905(6) 5_666 4 ? 
Pb Te Pb 69.095(6) . 4 ? 
Pb Te Pb 68.668(6) 1_565 4 ? 
Pb Te Pb 111.332(6) 5_656 4 ? 
O1 Te Pb 114.80(15) . 8 ? 
O1 Te Pb 65.20(15) 5_666 8 ? 
O2 Te Pb 147.11(14) . 8 ? 
O2 Te Pb 32.89(14) 5_666 8 ? 
O3 Te Pb 107.69(2) 5_666 8 ? 
O3 Te Pb 72.31(2) . 8 ? 
Pb Te Pb 69.095(6) 5_666 8 ? 
Pb Te Pb 110.905(6) . 8 ? 
Pb Te Pb 111.332(6) 1_565 8 ? 
Pb Te Pb 68.668(6) 5_656 8 ? 
Pb Te Pb 180.000(1) 4 8 ? 
Te O1 Pb 113.07(19) . 1_565 ? 
Te O1 Pb 140.1(2) . 6_665 ? 
Pb O1 Pb 98.71(15) 1_565 6_665 ? 
Te O1 Pb 98.2(2) . 5_666 ? 
Pb O1 Pb 111.49(17) 1_565 5_666 ? 
Pb O1 Pb 91.42(14) 6_665 5_666 ? 
Te O1 Pb 85.84(15) . 4 ? 
Pb O1 Pb 88.63(15) 1_565 4 ? 
Pb O1 Pb 70.98(11) 6_665 4 ? 
Pb O1 Pb 155.43(15) 5_666 4 ? 
Te O1 Pb 80.61(14) . 2_566 ? 
Pb O1 Pb 64.75(10) 1_565 2_566 ? 
Pb O1 Pb 136.77(14) 6_665 2_566 ? 
Pb O1 Pb 62.64(9) 5_666 2_566 ? 
Pb O1 Pb 141.68(13) 4 2_566 ? 
Te O2 Pb 110.8(2) . . ? 
Te O2 Pb 123.0(2) . 4 ? 
Pb O2 Pb 119.21(19) . 4 ? 
Te O2 Pb 127.2(2) . 7 ? 
Pb O2 Pb 84.27(13) . 7 ? 
Pb O2 Pb 84.64(14) 4 7 ? 
Te O2 Pb 96.71(17) . 6_655 ? 
Pb O2 Pb 75.05(12) . 6_655 ? 
Pb O2 Pb 72.83(11) 4 6_655 ? 
Pb O2 Pb 135.83(15) 7 6_655 ? 
Te O2 Pb 72.06(13) . 1_565 ? 
Pb O2 Pb 141.93(18) . 1_565 ? 
Pb O2 Pb 83.97(12) 4 1_565 ? 
Pb O2 Pb 67.25(9) 7 1_565 ? 
Pb O2 Pb 143.01(13) 6_655 1_565 ? 
Te O3 Te 138.3(3) 2_556 . ? 
Te O3 Pb 120.27(11) 2_556 1_565 ? 
Te O3 Pb 91.81(8) . 1_565 ? 
Te O3 Pb 91.81(8) 2_556 2_566 ? 
Te O3 Pb 120.27(11) . 2_566 ? 
Pb O3 Pb 82.43(15) 1_565 2_566 ? 
Te O3 Pb 77.47(5) 2_556 7 ? 
Te O3 Pb 94.46(7) . 7 ? 
Pb O3 Pb 66.288(18) 1_565 7 ? 
Pb O3 Pb 134.12(13) 2_566 7 ? 
Te O3 Pb 94.46(7) 2_556 8 ? 
Te O3 Pb 77.47(5) . 8 ? 
Pb O3 Pb 134.12(13) 1_565 8 ? 
Pb O3 Pb 66.287(18) 2_566 8 ? 
Pb O3 Pb 157.46(17) 7 8 ? 
Te O3 Pb 61.11(13) 2_556 2_556 ? 
Te O3 Pb 81.68(16) . 2_556 ? 
Pb O3 Pb 166.94(11) 1_565 2_556 ? 
Pb O3 Pb 110.63(4) 2_566 2_556 ? 
Pb O3 Pb 102.77(11) 7 2_556 ? 
Pb O3 Pb 55.56(5) 8 2_556 ? 
Te O3 Pb 81.68(16) 2_556 . ? 
Te O3 Pb 61.11(13) . . ? 
Pb O3 Pb 110.63(4) 1_565 . ? 
Pb O3 Pb 166.94(11) 2_566 . ? 
Pb O3 Pb 55.56(5) 7 . ? 
Pb O3 Pb 102.77(11) 8 . ? 
Pb O3 Pb 56.31(8) 2_556 . ? 
Te O3 Pb 59.34(8) 2_556 6_565 ? 
Te O3 Pb 151.30(9) . 6_565 ? 
Pb O3 Pb 62.57(7) 1_565 6_565 ? 
Pb O3 Pb 71.64(8) 2_566 6_565 ? 
Pb O3 Pb 64.49(2) 7 6_565 ? 
Pb O3 Pb 129.21(6) 8 6_565 ? 
Pb O3 Pb 120.45(5) 2_556 6_565 ? 
Pb O3 Pb 113.73(5) . 6_565 ? 
Te O3 Pb 151.30(9) 2_556 5_666 ? 
Te O3 Pb 59.34(8) . 5_666 ? 
Pb O3 Pb 71.64(8) 1_565 5_666 ? 
Pb O3 Pb 62.57(7) 2_566 5_666 ? 
Pb O3 Pb 129.21(6) 7 5_666 ? 
Pb O3 Pb 64.49(2) 8 5_666 ? 
Pb O3 Pb 113.73(5) 2_556 5_666 ? 
Pb O3 Pb 120.45(5) . 5_666 ? 
Pb O3 Pb 117.93(14) 6_565 5_666 ? 
 
_diffrn_measured_fraction_theta_max    0.994 
_diffrn_reflns_theta_full              27.49 
_diffrn_measured_fraction_theta_full   0.994 
_refine_diff_density_max    0.945 
_refine_diff_density_min   -1.874 
_refine_diff_density_rms    0.297 
