data_markcooperite _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'O8 Pb2 Te1.25 U0.75' _chemical_formula_weight 880.40 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' 'U' 'U' -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' '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' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 5.7217(16) _cell_length_b 7.748(2) _cell_length_c 7.889(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.833(5) _cell_angle_gamma 90.00 _cell_volume 349.69(17) _cell_formula_units_Z 2 _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 0.05 _exptl_crystal_size_min 0.02 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 8.361 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 724 _exptl_absorpt_coefficient_mu 70.483 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min 0.1436 _exptl_absorpt_correction_T_max 0.4178 _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 3886 _diffrn_reflns_av_R_equivalents 0.1058 _diffrn_reflns_av_sigmaI/netI 0.0435 _diffrn_reflns_limit_h_min -5 _diffrn_reflns_limit_h_max 5 _diffrn_reflns_limit_k_min -7 _diffrn_reflns_limit_k_max 7 _diffrn_reflns_limit_l_min -7 _diffrn_reflns_limit_l_max 7 _diffrn_reflns_theta_min 3.56 _diffrn_reflns_theta_max 20.76 _reflns_number_total 362 _reflns_number_gt 287 _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 F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ 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/[\s^2^(Fo^2^)+(0.0945P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/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 SHELXL _refine_ls_extinction_coef 0.0000(5) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 362 _refine_ls_number_parameters 60 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0638 _refine_ls_R_factor_gt 0.0516 _refine_ls_wR_factor_ref 0.1386 _refine_ls_wR_factor_gt 0.1308 _refine_ls_goodness_of_fit_ref 1.083 _refine_ls_restrained_S_all 1.083 _refine_ls_shift/su_max 0.780 _refine_ls_shift/su_mean 0.013 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 0.0000 0.0000 0.0000 0.0386(12) Uani 0.75(2) 2 d SP . . Te1 Te 0.0000 0.0000 0.0000 0.0386(12) Uani 0.25(2) 2 d SP . . Te2 Te 0.0000 0.5000 0.0000 0.0340(13) Uani 1 2 d S . . Pb Pb 0.4972(3) 0.1689(3) 0.6919(2) 0.0531(10) Uani 1 1 d . . . O1 O 0.699(5) -0.068(4) -0.061(3) 0.054(8) Uani 1 1 d . . . O2 O -0.137(5) 0.234(3) 0.505(3) 0.038(7) Uani 1 1 d . . . O3 O 0.295(4) 0.085(4) 0.429(3) 0.045(7) Uani 1 1 d . . . O4 O -0.114(4) 0.532(3) -0.236(3) 0.040(7) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 U1 0.0352(17) 0.039(2) 0.0420(17) 0.0015(12) 0.0026(11) 0.0025(13) Te1 0.0352(17) 0.039(2) 0.0420(17) 0.0015(12) 0.0026(11) 0.0025(13) Te2 0.029(2) 0.034(3) 0.039(2) 0.0024(17) -0.0011(16) -0.0026(19) Pb 0.0441(14) 0.0511(16) 0.0640(15) 0.0023(10) -0.0028(9) -0.0026(10) O1 0.048(17) 0.05(2) 0.07(2) 0.005(15) -0.027(14) 0.013(15) O2 0.058(18) 0.024(17) 0.031(15) 0.002(11) -0.022(14) 0.002(13) O3 0.019(13) 0.05(2) 0.063(18) 0.031(16) 0.000(12) 0.004(12) O4 0.027(13) 0.023(17) 0.071(19) 0.008(13) -0.006(12) -0.003(13) _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 O1 1.86(3) 1_455 ? U1 O1 1.86(3) 3_655 ? U1 O2 2.20(3) 2_545 ? U1 O2 2.20(3) 4_565 ? U1 O4 2.20(3) 2_544 ? U1 O4 2.20(3) 4_566 ? U1 Pb 3.9613(18) 3_656 ? U1 Pb 3.9614(18) 1_454 ? U1 Pb 3.9891(19) 1_554 ? U1 Pb 3.9891(19) 3_556 ? U1 Pb 4.1039(19) 2_545 ? U1 Pb 4.1039(19) 4_565 ? Te2 O3 1.90(2) 2 ? Te2 O3 1.90(2) 4_565 ? Te2 O2 1.98(2) 4_565 ? Te2 O2 1.98(2) 2 ? Te2 O4 1.98(3) . ? Te2 O4 1.98(3) 3_565 ? Te2 Pb 3.4600(18) 4_565 ? Te2 Pb 3.4600(18) 2 ? Te2 Pb 3.5224(18) 2_655 ? Te2 Pb 3.5224(18) 4_465 ? Te2 Pb 4.5346(19) 1_454 ? Te2 Pb 4.5346(19) 3_666 ? Pb O3 2.45(3) . ? Pb O4 2.46(2) 2_545 ? Pb O3 2.49(3) 3_656 ? Pb O1 2.54(3) 2_655 ? Pb O2 2.63(3) 1_655 ? Pb O1 2.90(3) 1_556 ? Pb O3 2.92(2) 4_566 ? Pb O1 3.23(3) 3_656 ? Pb O2 3.30(3) 4_666 ? Pb Te2 3.4600(18) 2_545 ? Pb Te2 3.5224(18) 2_645 ? Pb O4 3.63(3) 1_656 ? Pb O4 3.70(2) 2_645 ? Pb O1 3.87(3) 4_566 ? Pb O2 3.93(3) . ? Pb U1 3.9613(18) 1_656 ? O1 Te1 1.86(3) 1_655 ? O1 U1 1.86(3) 1_655 ? O1 Pb 2.54(3) 2_645 ? O1 Pb 2.90(3) 1_554 ? O1 Pb 3.23(3) 3_656 ? O1 Pb 3.87(3) 4_565 ? O2 Te2 1.98(2) 2_545 ? O2 Te1 2.20(3) 2 ? O2 U1 2.20(3) 2 ? O2 Pb 2.63(3) 1_455 ? O2 Pb 3.30(3) 4_465 ? O2 Pb 4.04(3) 3_556 ? O3 Te2 1.90(2) 2_545 ? O3 Pb 2.49(3) 3_656 ? O3 Pb 2.92(2) 4_565 ? O4 Te1 2.20(3) 2_554 ? O4 U1 2.20(3) 2_554 ? O4 Pb 2.46(2) 2 ? O4 Pb 3.63(3) 1_454 ? O4 Pb 3.70(2) 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 O1 U1 O1 180.000(1) 1_455 3_655 ? O1 U1 O2 93.5(11) 1_455 2_545 ? O1 U1 O2 86.5(11) 3_655 2_545 ? O1 U1 O2 86.5(11) 1_455 4_565 ? O1 U1 O2 93.5(11) 3_655 4_565 ? O2 U1 O2 180.000(1) 2_545 4_565 ? O1 U1 O4 94.3(11) 1_455 2_544 ? O1 U1 O4 85.7(11) 3_655 2_544 ? O2 U1 O4 88.8(10) 2_545 2_544 ? O2 U1 O4 91.2(10) 4_565 2_544 ? O1 U1 O4 85.7(11) 1_455 4_566 ? O1 U1 O4 94.3(11) 3_655 4_566 ? O2 U1 O4 91.2(10) 2_545 4_566 ? O2 U1 O4 88.8(10) 4_565 4_566 ? O4 U1 O4 179.999(1) 2_544 4_566 ? O1 U1 Pb 136.7(8) 1_455 3_656 ? O1 U1 Pb 43.3(8) 3_655 3_656 ? O2 U1 Pb 56.3(7) 2_545 3_656 ? O2 U1 Pb 123.7(7) 4_565 3_656 ? O4 U1 Pb 113.2(6) 2_544 3_656 ? O4 U1 Pb 66.8(6) 4_566 3_656 ? O1 U1 Pb 43.3(8) 1_455 1_454 ? O1 U1 Pb 136.7(8) 3_655 1_454 ? O2 U1 Pb 123.7(7) 2_545 1_454 ? O2 U1 Pb 56.3(7) 4_565 1_454 ? O4 U1 Pb 66.8(6) 2_544 1_454 ? O4 U1 Pb 113.2(6) 4_566 1_454 ? Pb U1 Pb 180.000(1) 3_656 1_454 ? O1 U1 Pb 127.0(9) 1_455 1_554 ? O1 U1 Pb 53.0(9) 3_655 1_554 ? O2 U1 Pb 92.2(8) 2_545 1_554 ? O2 U1 Pb 87.8(8) 4_565 1_554 ? O4 U1 Pb 33.2(6) 2_544 1_554 ? O4 U1 Pb 146.8(6) 4_566 1_554 ? Pb U1 Pb 87.95(4) 3_656 1_554 ? Pb U1 Pb 92.05(4) 1_454 1_554 ? O1 U1 Pb 53.0(9) 1_455 3_556 ? O1 U1 Pb 127.0(9) 3_655 3_556 ? O2 U1 Pb 87.8(8) 2_545 3_556 ? O2 U1 Pb 92.2(8) 4_565 3_556 ? O4 U1 Pb 146.8(6) 2_544 3_556 ? O4 U1 Pb 33.2(6) 4_566 3_556 ? Pb U1 Pb 92.05(4) 3_656 3_556 ? Pb U1 Pb 87.95(4) 1_454 3_556 ? Pb U1 Pb 180.0 1_554 3_556 ? O1 U1 Pb 24.8(9) 1_455 2_545 ? O1 U1 Pb 155.2(9) 3_655 2_545 ? O2 U1 Pb 69.8(7) 2_545 2_545 ? O2 U1 Pb 110.2(7) 4_565 2_545 ? O4 U1 Pb 86.4(6) 2_544 2_545 ? O4 U1 Pb 93.6(6) 4_566 2_545 ? Pb U1 Pb 120.88(2) 3_656 2_545 ? Pb U1 Pb 59.12(2) 1_454 2_545 ? Pb U1 Pb 118.48(3) 1_554 2_545 ? Pb U1 Pb 61.52(3) 3_556 2_545 ? O1 U1 Pb 155.2(9) 1_455 4_565 ? O1 U1 Pb 24.8(9) 3_655 4_565 ? O2 U1 Pb 110.2(7) 2_545 4_565 ? O2 U1 Pb 69.8(7) 4_565 4_565 ? O4 U1 Pb 93.6(6) 2_544 4_565 ? O4 U1 Pb 86.4(6) 4_566 4_565 ? Pb U1 Pb 59.12(2) 3_656 4_565 ? Pb U1 Pb 120.88(2) 1_454 4_565 ? Pb U1 Pb 61.52(3) 1_554 4_565 ? Pb U1 Pb 118.48(3) 3_556 4_565 ? Pb U1 Pb 180.0 2_545 4_565 ? O3 Te2 O3 179.999(1) 2 4_565 ? O3 Te2 O2 87.6(12) 2 4_565 ? O3 Te2 O2 92.4(12) 4_565 4_565 ? O3 Te2 O2 92.4(12) 2 2 ? O3 Te2 O2 87.6(12) 4_565 2 ? O2 Te2 O2 179.999(4) 4_565 2 ? O3 Te2 O4 87.2(11) 2 . ? O3 Te2 O4 92.8(11) 4_565 . ? O2 Te2 O4 90.4(10) 4_565 . ? O2 Te2 O4 89.6(10) 2 . ? O3 Te2 O4 92.8(11) 2 3_565 ? O3 Te2 O4 87.2(11) 4_565 3_565 ? O2 Te2 O4 89.6(10) 4_565 3_565 ? O2 Te2 O4 90.4(10) 2 3_565 ? O4 Te2 O4 179.999(2) . 3_565 ? O3 Te2 Pb 136.8(8) 2 4_565 ? O3 Te2 Pb 43.2(8) 4_565 4_565 ? O2 Te2 Pb 88.2(8) 4_565 4_565 ? O2 Te2 Pb 91.8(8) 2 4_565 ? O4 Te2 Pb 135.8(7) . 4_565 ? O4 Te2 Pb 44.2(7) 3_565 4_565 ? O3 Te2 Pb 43.2(8) 2 2 ? O3 Te2 Pb 136.8(8) 4_565 2 ? O2 Te2 Pb 91.8(8) 4_565 2 ? O2 Te2 Pb 88.2(8) 2 2 ? O4 Te2 Pb 44.2(7) . 2 ? O4 Te2 Pb 135.8(7) 3_565 2 ? Pb Te2 Pb 180.0 4_565 2 ? O3 Te2 Pb 137.0(9) 2 2_655 ? O3 Te2 Pb 43.0(9) 4_565 2_655 ? O2 Te2 Pb 132.5(9) 4_565 2_655 ? O2 Te2 Pb 47.5(9) 2 2_655 ? O4 Te2 Pb 79.0(7) . 2_655 ? O4 Te2 Pb 101.0(7) 3_565 2_655 ? Pb Te2 Pb 69.94(5) 4_565 2_655 ? Pb Te2 Pb 110.06(5) 2 2_655 ? O3 Te2 Pb 43.0(9) 2 4_465 ? O3 Te2 Pb 137.0(9) 4_565 4_465 ? O2 Te2 Pb 47.5(9) 4_565 4_465 ? O2 Te2 Pb 132.5(9) 2 4_465 ? O4 Te2 Pb 101.0(7) . 4_465 ? O4 Te2 Pb 79.0(7) 3_565 4_465 ? Pb Te2 Pb 110.06(5) 4_565 4_465 ? Pb Te2 Pb 69.94(5) 2 4_465 ? Pb Te2 Pb 180.0 2_655 4_465 ? O3 Te2 Pb 78.2(7) 2 1_454 ? O3 Te2 Pb 101.8(7) 4_565 1_454 ? O2 Te2 Pb 40.7(7) 4_565 1_454 ? O2 Te2 Pb 139.3(7) 2 1_454 ? O4 Te2 Pb 50.9(7) . 1_454 ? O4 Te2 Pb 129.1(7) 3_565 1_454 ? Pb Te2 Pb 122.13(2) 4_565 1_454 ? Pb Te2 Pb 57.87(2) 2 1_454 ? Pb Te2 Pb 119.70(3) 2_655 1_454 ? Pb Te2 Pb 60.30(3) 4_465 1_454 ? O3 Te2 Pb 101.8(7) 2 3_666 ? O3 Te2 Pb 78.2(7) 4_565 3_666 ? O2 Te2 Pb 139.3(7) 4_565 3_666 ? O2 Te2 Pb 40.7(7) 2 3_666 ? O4 Te2 Pb 129.1(7) . 3_666 ? O4 Te2 Pb 50.9(7) 3_565 3_666 ? Pb Te2 Pb 57.87(2) 4_565 3_666 ? Pb Te2 Pb 122.13(2) 2 3_666 ? Pb Te2 Pb 60.30(3) 2_655 3_666 ? Pb Te2 Pb 119.70(3) 4_465 3_666 ? Pb Te2 Pb 180.0 1_454 3_666 ? O3 Pb O4 66.2(8) . 2_545 ? O3 Pb O3 71.9(9) . 3_656 ? O4 Pb O3 98.4(8) 2_545 3_656 ? O3 Pb O1 70.6(8) . 2_655 ? O4 Pb O1 90.9(8) 2_545 2_655 ? O3 Pb O1 133.5(9) 3_656 2_655 ? O3 Pb O2 86.8(8) . 1_655 ? O4 Pb O2 151.7(8) 2_545 1_655 ? O3 Pb O2 63.3(8) 3_656 1_655 ? O1 Pb O2 88.1(9) 2_655 1_655 ? O3 Pb O1 125.4(9) . 1_556 ? O4 Pb O1 88.7(8) 2_545 1_556 ? O3 Pb O1 64.6(8) 3_656 1_556 ? O1 Pb O1 161.7(6) 2_655 1_556 ? O2 Pb O1 100.9(8) 1_655 1_556 ? O3 Pb O3 121.9(9) . 4_566 ? O4 Pb O3 80.1(8) 2_545 4_566 ? O3 Pb O3 162.7(5) 3_656 4_566 ? O1 Pb O3 63.9(9) 2_655 4_566 ? O2 Pb O3 124.0(8) 1_655 4_566 ? O1 Pb O3 98.0(8) 1_556 4_566 ? O3 Pb O1 122.3(7) . 3_656 ? O4 Pb O1 56.4(8) 2_545 3_656 ? O3 Pb O1 109.1(8) 3_656 3_656 ? O1 Pb O1 113.8(10) 2_655 3_656 ? O2 Pb O1 147.4(7) 1_655 3_656 ? O1 Pb O1 51.8(10) 1_556 3_656 ? O3 Pb O1 55.6(7) 4_566 3_656 ? O3 Pb O2 168.8(8) . 4_666 ? O4 Pb O2 123.1(8) 2_545 4_666 ? O3 Pb O2 99.5(7) 3_656 4_666 ? O1 Pb O2 113.2(7) 2_655 4_666 ? O2 Pb O2 82.8(7) 1_655 4_666 ? O1 Pb O2 53.1(7) 1_556 4_666 ? O3 Pb O2 68.0(7) 4_566 4_666 ? O1 Pb O2 66.7(7) 3_656 4_666 ? O3 Pb Te2 32.2(6) . 2_545 ? O4 Pb Te2 34.2(6) 2_545 2_545 ? O3 Pb Te2 85.9(6) 3_656 2_545 ? O1 Pb Te2 76.7(6) 2_655 2_545 ? O2 Pb Te2 118.9(6) 1_655 2_545 ? O1 Pb Te2 111.8(5) 1_556 2_545 ? O3 Pb Te2 101.3(5) 4_566 2_545 ? O1 Pb Te2 90.5(5) 3_656 2_545 ? O2 Pb Te2 157.2(5) 4_666 2_545 ? O3 Pb Te2 85.2(6) . 2_645 ? O4 Pb Te2 129.5(6) 2_545 2_645 ? O3 Pb Te2 31.4(6) 3_656 2_645 ? O1 Pb Te2 118.8(7) 2_655 2_645 ? O2 Pb Te2 33.7(5) 1_655 2_645 ? O1 Pb Te2 74.6(6) 1_556 2_645 ? O3 Pb Te2 148.3(5) 4_566 2_645 ? O1 Pb Te2 126.4(5) 3_656 2_645 ? O2 Pb Te2 83.8(5) 4_666 2_645 ? Te2 Pb Te2 110.05(5) 2_545 2_645 ? O3 Pb O4 128.2(7) . 1_656 ? O4 Pb O4 148.9(7) 2_545 1_656 ? O3 Pb O4 112.2(7) 3_656 1_656 ? O1 Pb O4 72.9(7) 2_655 1_656 ? O2 Pb O4 56.4(7) 1_655 1_656 ? O1 Pb O4 98.6(6) 1_556 1_656 ? O3 Pb O4 69.0(7) 4_566 1_656 ? O1 Pb O4 105.5(7) 3_656 1_656 ? O2 Pb O4 47.7(6) 4_666 1_656 ? Te2 Pb O4 149.3(4) 2_545 1_656 ? Te2 Pb O4 81.5(4) 2_645 1_656 ? O3 Pb O4 116.3(8) . 2_645 ? O4 Pb O4 135.5(9) 2_545 2_645 ? O3 Pb O4 49.5(7) 3_656 2_645 ? O1 Pb O4 133.1(8) 2_655 2_645 ? O2 Pb O4 48.9(7) 1_655 2_645 ? O1 Pb O4 52.1(7) 1_556 2_645 ? O3 Pb O4 120.8(6) 4_566 2_645 ? O1 Pb O4 100.8(6) 3_656 2_645 ? O2 Pb O4 53.1(6) 4_666 2_645 ? Te2 Pb O4 135.3(4) 2_545 2_645 ? Te2 Pb O4 31.8(4) 2_645 2_645 ? O4 Pb O4 68.0(2) 1_656 2_645 ? O3 Pb O1 85.1(7) . 4_566 ? O4 Pb O1 133.6(7) 2_545 4_566 ? O3 Pb O1 106.6(7) 3_656 4_566 ? O1 Pb O1 44.0(10) 2_655 4_566 ? O2 Pb O1 46.3(7) 1_655 4_566 ? O1 Pb O1 137.2(9) 1_556 4_566 ? O3 Pb O1 86.1(7) 4_566 4_566 ? O1 Pb O1 140.2(8) 3_656 4_566 ? O2 Pb O1 90.8(6) 4_666 4_566 ? Te2 Pb O1 109.0(4) 2_545 4_566 ? Te2 Pb O1 79.8(4) 2_645 4_566 ? O4 Pb O1 43.3(5) 1_656 4_566 ? O4 Pb O1 89.2(6) 2_645 4_566 ? O3 Pb O2 45.1(8) . . ? O4 Pb O2 44.9(7) 2_545 . ? O3 Pb O2 113.6(7) 3_656 . ? O1 Pb O2 49.0(7) 2_655 . ? O2 Pb O2 120.1(8) 1_655 . ? O1 Pb O2 133.6(7) 1_556 . ? O3 Pb O2 77.5(6) 4_566 . ? O1 Pb O2 92.3(6) 3_656 . ? O2 Pb O2 145.5(7) 4_666 . ? Te2 Pb O2 30.2(4) 2_545 . ? Te2 Pb O2 129.9(4) 2_645 . ? O4 Pb O2 121.2(5) 1_656 . ? O4 Pb O2 161.4(6) 2_645 . ? O1 Pb O2 89.0(6) 4_566 . ? O3 Pb U1 139.7(6) . 1_656 ? O4 Pb U1 114.2(6) 2_545 1_656 ? O3 Pb U1 68.2(6) 3_656 1_656 ? O1 Pb U1 145.8(6) 2_655 1_656 ? O2 Pb U1 80.3(5) 1_655 1_656 ? O1 Pb U1 26.1(5) 1_556 1_656 ? O3 Pb U1 96.5(5) 4_566 1_656 ? O1 Pb U1 68.0(4) 3_656 1_656 ? O2 Pb U1 33.8(4) 4_666 1_656 ? Te2 Pb U1 136.78(6) 2_545 1_656 ? Te2 Pb U1 63.30(3) 2_645 1_656 ? O4 Pb U1 73.9(4) 1_656 1_656 ? O4 Pb U1 33.2(4) 2_645 1_656 ? O1 Pb U1 111.2(4) 4_566 1_656 ? O2 Pb U1 158.7(4) . 1_656 ? Te1 O1 U1 0.0 1_655 1_655 ? Te1 O1 Pb 137.3(14) 1_655 2_645 ? U1 O1 Pb 137.3(14) 1_655 2_645 ? Te1 O1 Pb 110.6(12) 1_655 1_554 ? U1 O1 Pb 110.6(12) 1_655 1_554 ? Pb O1 Pb 93.8(8) 2_645 1_554 ? Te1 O1 Pb 99.6(10) 1_655 3_656 ? U1 O1 Pb 99.6(10) 1_655 3_656 ? Pb O1 Pb 90.9(8) 2_645 3_656 ? Pb O1 Pb 128.2(10) 1_554 3_656 ? Te1 O1 Pb 85.5(10) 1_655 4_565 ? U1 O1 Pb 85.5(10) 1_655 4_565 ? Pb O1 Pb 136.0(10) 2_645 4_565 ? Pb O1 Pb 73.9(6) 1_554 4_565 ? Pb O1 Pb 67.6(5) 3_656 4_565 ? Te2 O2 Te1 135.7(15) 2_545 2 ? Te2 O2 U1 135.7(15) 2_545 2 ? Te1 O2 U1 0.0 2 2 ? Te2 O2 Pb 98.7(11) 2_545 1_455 ? Te1 O2 Pb 118.5(11) 2 1_455 ? U1 O2 Pb 118.5(11) 2 1_455 ? Te2 O2 Pb 116.2(10) 2_545 4_465 ? Te1 O2 Pb 89.9(8) 2 4_465 ? U1 O2 Pb 89.9(8) 2 4_465 ? Pb O2 Pb 87.9(8) 1_455 4_465 ? Te2 O2 Pb 61.6(7) 2_545 . ? Te1 O2 Pb 78.4(8) 2 . ? U1 O2 Pb 78.4(8) 2 . ? Pb O2 Pb 120.1(8) 1_455 . ? Pb O2 Pb 152.0(9) 4_465 . ? Te2 O2 Pb 58.9(6) 2_545 3_556 ? Te1 O2 Pb 153.7(10) 2 3_556 ? U1 O2 Pb 153.7(10) 2 3_556 ? Pb O2 Pb 70.2(6) 1_455 3_556 ? Pb O2 Pb 64.8(4) 4_465 3_556 ? Pb O2 Pb 120.5(6) . 3_556 ? Te2 O3 Pb 104.6(11) 2_545 . ? Te2 O3 Pb 105.6(12) 2_545 3_656 ? Pb O3 Pb 108.1(9) . 3_656 ? Te2 O3 Pb 140.8(11) 2_545 4_565 ? Pb O3 Pb 100.5(9) . 4_565 ? Pb O3 Pb 94.3(8) 3_656 4_565 ? Te2 O4 Te1 140.8(12) . 2_554 ? Te2 O4 U1 140.8(12) . 2_554 ? Te1 O4 U1 0.0 2_554 2_554 ? Te2 O4 Pb 101.7(11) . 2 ? Te1 O4 Pb 117.4(10) 2_554 2 ? U1 O4 Pb 117.4(10) 2_554 2 ? Te2 O4 Pb 104.0(9) . 1_454 ? Te1 O4 Pb 87.4(8) 2_554 1_454 ? U1 O4 Pb 87.4(8) 2_554 1_454 ? Pb O4 Pb 79.1(6) 2 1_454 ? Te2 O4 Pb 69.2(6) . 2_655 ? Te1 O4 Pb 80.0(7) 2_554 2_655 ? U1 O4 Pb 80.0(7) 2_554 2_655 ? Pb O4 Pb 135.5(9) 2 2_655 ? Pb O4 Pb 145.0(7) 1_454 2_655 ? _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 20.76 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 3.052 _refine_diff_density_min -2.335 _refine_diff_density_rms 0.539