Supplementary Material (ESI) for Journal of Materials Chemistry This journal is © The Royal Society of Chemistry 2001 data_pblu _database_code_CSD 158628 _journal_coden_Cambridge 1145 _publ_requested_journal 'Journal of Materials Chemistry' loop_ _publ_author_name 'Gulo, Fakhili' 'Perrin, Christiane' 'Roisnel, Thierry' _publ_contact_author_name 'Dr Christiane Perrin' _publ_contact_author_address ; Dr Christiane Perrin Laboratoire CSIM, UMR CNRS 6511 Institut de Chimie de Rennes Avenue du General Leclerc Rennes 35042 Cedex FRANCE ; _publ_contact_author_email 'christiane.perrin@univ-rennes1.fr' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_sum 'Cl15 Lu3 Nb6 O6 Pb' _chemical_formula_weight 1917.31 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' 'Lu' 'Lu' -0.4720 5.8584 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Nb' 'Nb' -2.0727 0.6215 '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' '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+1/2, z' '-x+1/2, y, -z+1/2' 'x, -y+1/2, -z+1/2' 'z, x, y' 'z, -x+1/2, -y+1/2' '-z+1/2, -x+1/2, y' '-z+1/2, x, -y+1/2' 'y, z, x' '-y+1/2, z, -x+1/2' 'y, -z+1/2, -x+1/2' '-y+1/2, -z+1/2, x' '-x, -y, -z' 'x-1/2, y-1/2, -z' 'x-1/2, -y, z-1/2' '-x, y-1/2, z-1/2' '-z, -x, -y' '-z, x-1/2, y-1/2' 'z-1/2, x-1/2, -y' 'z-1/2, -x, y-1/2' '-y, -z, -x' 'y-1/2, -z, x-1/2' '-y, z-1/2, x-1/2' 'y-1/2, z-1/2, -x' _cell_length_a 13.8327(4) _cell_length_b 13.8327(4) _cell_length_c 13.8327(4) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 2646.80(13) _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 ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 4.812 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3376 _exptl_absorpt_coefficient_mu 21.436 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _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 ? _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 980 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0177 _diffrn_reflns_limit_h_min 1 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_theta_min 2.55 _diffrn_reflns_theta_max 27.08 _reflns_number_total 980 _reflns_number_gt 879 _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 w==1/[\s^2^(Fo^2^)+(0.0406P)^2^+15.3881P] 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 none _refine_ls_extinction_coef ? _refine_ls_number_reflns 980 _refine_ls_number_parameters 56 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0383 _refine_ls_R_factor_gt 0.0316 _refine_ls_wR_factor_ref 0.0726 _refine_ls_wR_factor_gt 0.0699 _refine_ls_goodness_of_fit_ref 1.097 _refine_ls_restrained_S_all 1.097 _refine_ls_shift/su_max 0.001 _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_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Lu Lu 0.59104(3) 0.7500 0.2500 0.01893(15) Uani 1 d S . . Nb Nb 0.51852(4) 0.64490(4) 0.47302(4) 0.01386(17) Uani 1 d . . . Cl1 Cl 0.7500 0.86548(17) 0.2500 0.0242(5) Uani 1 d S . . Cl2 Cl 0.55084(11) 0.82172(10) 0.42112(11) 0.0218(3) Uani 1 d . . . Cl3 Cl 0.50393(11) 0.69961(11) 0.64410(10) 0.0212(3) Uani 1 d . . . O O 0.5437(3) 0.6227(3) 0.3329(3) 0.0182(9) Uani 1 d . . . Pb1 Pb 0.63533(6) 0.86467(6) 0.63533(6) 0.0354(5) Uani 0.414(3) d SP . . Pb2 Pb 0.7500 0.7500 0.7500 0.048(3) Uani 0.154(6) d SP . . Pb3 Pb 0.5000 0.0000 0.5000 0.020(4) Uani 0.051(3) d SP . . 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 Lu 0.0228(2) 0.0170(2) 0.0170(2) 0.00392(14) 0.000 0.000 Nb 0.0145(3) 0.0130(3) 0.0141(3) 0.00008(19) 0.00050(19) -0.0001(2) Cl1 0.0177(10) 0.0250(11) 0.0299(12) 0.000 -0.0039(9) 0.000 Cl2 0.0270(8) 0.0156(7) 0.0228(8) -0.0002(6) 0.0019(6) -0.0005(6) Cl3 0.0278(8) 0.0174(7) 0.0185(7) -0.0032(6) 0.0023(6) -0.0027(6) O 0.018(2) 0.017(2) 0.020(2) 0.0024(16) 0.0004(17) 0.0040(17) Pb1 0.0354(5) 0.0354(5) 0.0354(5) -0.0077(3) 0.0077(3) -0.0077(3) Pb2 0.048(3) 0.048(3) 0.048(3) 0.000 0.000 0.000 Pb3 0.020(4) 0.020(4) 0.020(4) -0.004(3) 0.004(3) -0.004(3) _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 Lu O 2.202(4) . ? Lu O 2.202(4) 4_565 ? Lu Cl2 2.6260(15) 4_565 ? Lu Cl2 2.6260(15) . ? Lu Cl1 2.7178(14) . ? Lu Cl1 2.7178(14) 2_665 ? Lu Cl1 3.120(2) 22_565 ? Lu Nb 3.5548(5) 4_565 ? Lu Nb 3.5548(5) . ? Lu Nb 4.0861(5) 17_666 ? Lu Nb 4.0861(5) 18_665 ? Lu Cl3 4.0914(15) 9 ? Lu Cl3 4.0914(15) 11_565 ? Lu O 4.266(4) 23_665 ? Lu O 4.266(4) 21_666 ? Lu Cl2 4.2813(16) 17_666 ? Lu Cl2 4.2813(16) 18_665 ? Lu Lu 4.3978(8) 2_665 ? Nb O 1.990(4) 21_666 ? Nb O 1.993(4) . ? Nb Cl3 2.4927(15) . ? Nb Cl3 2.5411(15) 9 ? Nb Cl2 2.5881(15) . ? Nb Nb 2.7900(8) 17_666 ? Nb Nb 2.7900(9) 21_666 ? Nb Nb 3.0173(9) 5 ? Nb Nb 3.0173(9) 9 ? Nb O 3.575(4) 17_666 ? Nb O 3.583(4) 5 ? Nb Cl3 3.8731(16) 17_666 ? Nb Cl1 4.0141(14) 22_565 ? Nb Cl3 4.0796(16) 5 ? Nb Lu 4.0861(5) 21_666 ? Nb Nb 4.1096(10) 13_666 ? Nb Pb1 4.1102(5) . ? Cl1 Lu 2.7178(14) 2_665 ? Cl1 Lu 3.120(2) 18_665 ? Cl1 Nb 4.0141(14) 19_666 ? Cl1 Nb 4.0141(14) 18_665 ? Cl1 Nb 4.4486(5) 4_565 ? Cl1 Nb 4.4486(5) 2_665 ? Cl1 Nb 4.5718(13) 12_665 ? Cl1 Nb 4.5718(13) 11_565 ? Cl1 Pb3 5.2327(8) 3_665 ? Cl1 Pb3 5.2327(8) 1_565 ? Cl1 Nb 5.3925(14) 3_655 ? Cl2 Pb3 2.7869(15) 1_565 ? Cl2 Pb1 3.2403(18) . ? Cl2 Lu 4.2813(16) 21_666 ? Cl2 Nb 4.7031(16) 18_665 ? Cl2 Nb 4.8056(15) 17_666 ? Cl2 Nb 4.9649(16) 21_666 ? Cl2 Pb1 5.1050(19) 13_676 ? Cl2 Nb 5.1744(16) 9 ? Cl2 Lu 5.2029(15) 18_665 ? Cl2 Nb 5.2527(16) 12_665 ? Cl3 Nb 2.5411(15) 5 ? Cl3 Pb1 2.9209(15) . ? Cl3 Pb1 3.6611(16) 4_566 ? Cl3 Pb2 3.7707(16) . ? Cl3 Nb 3.8731(16) 21_666 ? Cl3 Nb 4.0796(16) 9 ? Cl3 Lu 4.0914(15) 5 ? Cl3 Pb3 4.6089(15) 1_565 ? Cl3 Lu 4.7823(16) 6_566 ? Cl3 Lu 4.8376(16) 21_666 ? Cl3 Nb 4.8892(15) 6_566 ? O Nb 1.990(4) 17_666 ? O Nb 3.575(4) 21_666 ? O Nb 3.583(4) 9 ? O Lu 4.266(4) 17_666 ? O Lu 4.551(4) 21_666 ? O Nb 4.652(4) 13_666 ? O Nb 4.654(4) 5 ? O Pb3 4.945(4) 4 ? O Pb1 5.132(4) 16_655 ? Pb1 Pb2 2.7473(14) . ? Pb1 Cl3 2.9209(15) 6_566 ? Pb1 Cl3 2.9209(15) 12_665 ? Pb1 Cl2 3.2403(18) 12_665 ? Pb1 Cl2 3.2403(18) 6_566 ? Pb1 Pb3 3.2425(14) 1_565 ? Pb1 Cl3 3.6611(16) 9 ? Pb1 Cl3 3.6611(16) 7_665 ? Pb1 Cl3 3.6611(16) 4_566 ? Pb1 Nb 4.1102(5) 12_665 ? Pb1 Nb 4.1102(5) 6_566 ? Pb1 Pb1 4.486(2) 3_656 ? Pb1 Pb1 4.486(2) 4_566 ? Pb1 Pb1 4.486(2) 2_665 ? Pb1 Cl3 5.0700(19) 11_566 ? Pb2 Pb1 2.7473(14) 3_656 ? Pb2 Pb1 2.7473(14) 4_566 ? Pb2 Pb1 2.7473(14) 2_665 ? Pb2 Cl3 3.7706(16) 5 ? Pb2 Cl3 3.7706(16) 11_566 ? Pb2 Cl3 3.7706(16) 9 ? Pb2 Cl3 3.7706(16) 7_665 ? Pb2 Cl3 3.7706(16) 10_656 ? Pb2 Cl3 3.7706(16) 6_566 ? Pb2 Cl3 3.7706(16) 3_656 ? Pb2 Cl3 3.7706(16) 8_656 ? Pb2 Cl3 3.7706(16) 12_665 ? Pb2 Cl3 3.7706(16) 4_566 ? Pb2 Cl3 3.7706(16) 2_665 ? Pb2 Nb 5.2005(5) 9 ? Pb2 Nb 5.2005(5) 5 ? Pb3 Cl2 2.7869(15) 1_545 ? Pb3 Cl2 2.7869(15) 24_556 ? Pb3 Cl2 2.7869(15) 12_655 ? Pb3 Cl2 2.7869(15) 13_666 ? Pb3 Cl2 2.7869(15) 6_556 ? Pb3 Cl2 2.7869(15) 18_655 ? Pb3 Pb1 3.2425(14) 13_666 ? Pb3 Pb1 3.2425(14) 1_545 ? Pb3 Cl3 4.6089(15) 18_655 ? Pb3 Cl3 4.6089(15) 6_556 ? Pb3 Cl3 4.6089(15) 24_556 ? Pb3 Cl3 4.6089(15) 13_666 ? Pb3 Cl3 4.6089(15) 1_545 ? Pb3 Cl3 4.6089(15) 12_655 ? Pb3 Nb 4.9329(5) 24_556 ? Pb3 Nb 4.9329(5) 12_655 ? Pb3 Nb 4.9329(5) 13_666 ? Pb3 Nb 4.9329(5) 1_545 ? 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 O Lu O 145.4(2) . 4_565 ? O Lu Cl2 95.98(12) . 4_565 ? O Lu Cl2 76.69(12) 4_565 4_565 ? O Lu Cl2 76.69(12) . . ? O Lu Cl2 95.98(12) 4_565 . ? Cl2 Lu Cl2 155.55(7) 4_565 . ? O Lu Cl1 135.31(11) . . ? O Lu Cl1 76.73(11) 4_565 . ? Cl2 Lu Cl1 113.16(4) 4_565 . ? Cl2 Lu Cl1 87.09(4) . . ? O Lu Cl1 76.73(11) . 2_665 ? O Lu Cl1 135.31(11) 4_565 2_665 ? Cl2 Lu Cl1 87.09(4) 4_565 2_665 ? Cl2 Lu Cl1 113.16(4) . 2_665 ? Cl1 Lu Cl1 71.99(8) . 2_665 ? O Lu Cl1 72.69(11) . 22_565 ? O Lu Cl1 72.69(11) 4_565 22_565 ? Cl2 Lu Cl1 77.78(4) 4_565 22_565 ? Cl2 Lu Cl1 77.78(4) . 22_565 ? Cl1 Lu Cl1 144.00(4) . 22_565 ? Cl1 Lu Cl1 144.00(4) 2_665 22_565 ? O Lu Nb 134.05(11) . 4_565 ? O Lu Nb 30.32(11) 4_565 4_565 ? Cl2 Lu Nb 46.57(3) 4_565 4_565 ? Cl2 Lu Nb 124.61(4) . 4_565 ? Cl1 Lu Nb 89.31(2) . 4_565 ? Cl1 Lu Nb 117.947(13) 2_665 4_565 ? Cl1 Lu Nb 73.611(11) 22_565 4_565 ? O Lu Nb 30.32(11) . . ? O Lu Nb 134.05(11) 4_565 . ? Cl2 Lu Nb 124.61(4) 4_565 . ? Cl2 Lu Nb 46.57(3) . . ? Cl1 Lu Nb 117.947(13) . . ? Cl1 Lu Nb 89.31(2) 2_665 . ? Cl1 Lu Nb 73.611(11) 22_565 . ? Nb Lu Nb 147.22(2) 4_565 . ? O Lu Nb 12.26(11) . 17_666 ? O Lu Nb 148.01(11) 4_565 17_666 ? Cl2 Lu Nb 86.06(3) 4_565 17_666 ? Cl2 Lu Nb 88.67(3) . 17_666 ? Cl1 Lu Nb 135.21(4) . 17_666 ? Cl1 Lu Nb 68.97(4) 2_665 17_666 ? Cl1 Lu Nb 77.475(9) 22_565 17_666 ? Nb Lu Nb 128.271(16) 4_565 17_666 ? Nb Lu Nb 42.119(14) . 17_666 ? O Lu Nb 148.01(11) . 18_665 ? O Lu Nb 12.26(11) 4_565 18_665 ? Cl2 Lu Nb 88.67(3) 4_565 18_665 ? Cl2 Lu Nb 86.06(3) . 18_665 ? Cl1 Lu Nb 68.97(4) . 18_665 ? Cl1 Lu Nb 135.21(4) 2_665 18_665 ? Cl1 Lu Nb 77.475(9) 22_565 18_665 ? Nb Lu Nb 42.119(14) 4_565 18_665 ? Nb Lu Nb 128.271(16) . 18_665 ? Nb Lu Nb 154.951(19) 17_666 18_665 ? O Lu Cl3 51.36(11) . 9 ? O Lu Cl3 147.44(11) 4_565 9 ? Cl2 Lu Cl3 135.75(4) 4_565 9 ? Cl2 Lu Cl3 55.89(4) . 9 ? Cl1 Lu Cl3 85.03(3) . 9 ? Cl1 Lu Cl3 59.51(2) 2_665 9 ? Cl1 Lu Cl3 111.54(2) 22_565 9 ? Nb Lu Cl3 174.30(2) 4_565 9 ? Nb Lu Cl3 38.01(2) . 9 ? Nb Lu Cl3 56.54(2) 17_666 9 ? Nb Lu Cl3 135.28(2) 18_665 9 ? O Lu Cl3 147.44(11) . 11_565 ? O Lu Cl3 51.36(11) 4_565 11_565 ? Cl2 Lu Cl3 55.89(4) 4_565 11_565 ? Cl2 Lu Cl3 135.75(4) . 11_565 ? Cl1 Lu Cl3 59.51(2) . 11_565 ? Cl1 Lu Cl3 85.03(3) 2_665 11_565 ? Cl1 Lu Cl3 111.54(2) 22_565 11_565 ? Nb Lu Cl3 38.01(2) 4_565 11_565 ? Nb Lu Cl3 174.30(2) . 11_565 ? Nb Lu Cl3 135.28(2) 17_666 11_565 ? Nb Lu Cl3 56.54(2) 18_665 11_565 ? Cl3 Lu Cl3 136.93(4) 9 11_565 ? O Lu O 110.94(13) . 23_665 ? O Lu O 39.67(14) 4_565 23_665 ? Cl2 Lu O 49.60(7) 4_565 23_665 ? Cl2 Lu O 110.78(7) . 23_665 ? Cl1 Lu O 113.74(6) . 23_665 ? Cl1 Lu O 135.94(6) 2_665 23_665 ? Cl1 Lu O 46.14(6) 22_565 23_665 ? Nb Lu O 27.62(6) 4_565 23_665 ? Nb Lu O 119.67(6) . 23_665 ? Nb Lu O 109.40(6) 17_666 23_665 ? Nb Lu O 50.75(6) 18_665 23_665 ? Cl3 Lu O 157.66(6) 9 23_665 ? Cl3 Lu O 65.40(6) 11_565 23_665 ? O Lu O 39.67(13) . 21_666 ? O Lu O 110.94(13) 4_565 21_666 ? Cl2 Lu O 110.78(7) 4_565 21_666 ? Cl2 Lu O 49.60(7) . 21_666 ? Cl1 Lu O 135.94(6) . 21_666 ? Cl1 Lu O 113.74(6) 2_665 21_666 ? Cl1 Lu O 46.14(6) 22_565 21_666 ? Nb Lu O 119.67(6) 4_565 21_666 ? Nb Lu O 27.62(6) . 21_666 ? Nb Lu O 50.75(6) 17_666 21_666 ? Nb Lu O 109.40(6) 18_665 21_666 ? Cl3 Lu O 65.40(6) 9 21_666 ? Cl3 Lu O 157.66(6) 11_565 21_666 ? O Lu O 92.28(12) 23_665 21_666 ? O Lu Cl2 48.03(11) . 17_666 ? O Lu Cl2 130.19(11) 4_565 17_666 ? Cl2 Lu Cl2 54.24(5) 4_565 17_666 ? Cl2 Lu Cl2 124.59(5) . 17_666 ? Cl1 Lu Cl2 127.09(4) . 17_666 ? Cl1 Lu Cl2 57.35(4) 2_665 17_666 ? Cl1 Lu Cl2 87.75(2) 22_565 17_666 ? Nb Lu Cl2 100.68(2) 4_565 17_666 ? Nb Lu Cl2 78.02(2) . 17_666 ? Nb Lu Cl2 35.94(2) 17_666 17_666 ? Nb Lu Cl2 142.43(2) 18_665 17_666 ? Cl3 Lu Cl2 82.26(3) 9 17_666 ? Cl3 Lu Cl2 99.41(3) 11_565 17_666 ? O Lu Cl2 94.53(6) 23_665 17_666 ? O Lu Cl2 82.33(6) 21_666 17_666 ? O Lu Cl2 130.19(11) . 18_665 ? O Lu Cl2 48.03(11) 4_565 18_665 ? Cl2 Lu Cl2 124.59(5) 4_565 18_665 ? Cl2 Lu Cl2 54.24(5) . 18_665 ? Cl1 Lu Cl2 57.35(4) . 18_665 ? Cl1 Lu Cl2 127.09(4) 2_665 18_665 ? Cl1 Lu Cl2 87.75(2) 22_565 18_665 ? Nb Lu Cl2 78.02(2) 4_565 18_665 ? Nb Lu Cl2 100.68(2) . 18_665 ? Nb Lu Cl2 142.43(2) 17_666 18_665 ? Nb Lu Cl2 35.94(2) 18_665 18_665 ? Cl3 Lu Cl2 99.41(3) 9 18_665 ? Cl3 Lu Cl2 82.26(3) 11_565 18_665 ? O Lu Cl2 82.33(6) 23_665 18_665 ? O Lu Cl2 94.53(6) 21_666 18_665 ? Cl2 Lu Cl2 175.50(4) 17_666 18_665 ? O Lu Lu 107.31(11) . 2_665 ? O Lu Lu 107.31(11) 4_565 2_665 ? Cl2 Lu Lu 102.22(4) 4_565 2_665 ? Cl2 Lu Lu 102.22(4) . 2_665 ? Cl1 Lu Lu 36.00(4) . 2_665 ? Cl1 Lu Lu 36.00(4) 2_665 2_665 ? Cl1 Lu Lu 180.0 22_565 2_665 ? Nb Lu Lu 106.389(11) 4_565 2_665 ? Nb Lu Lu 106.389(11) . 2_665 ? Nb Lu Lu 102.525(9) 17_666 2_665 ? Nb Lu Lu 102.525(9) 18_665 2_665 ? Cl3 Lu Lu 68.46(2) 9 2_665 ? Cl3 Lu Lu 68.46(2) 11_565 2_665 ? O Lu Lu 133.86(6) 23_665 2_665 ? O Lu Lu 133.86(6) 21_666 2_665 ? Cl2 Lu Lu 92.25(2) 17_666 2_665 ? Cl2 Lu Lu 92.25(2) 18_665 2_665 ? O Nb O 94.72(2) 21_666 . ? O Nb Cl3 89.08(13) 21_666 . ? O Nb Cl3 169.81(13) . . ? O Nb Cl3 170.89(13) 21_666 9 ? O Nb Cl3 89.47(13) . 9 ? Cl3 Nb Cl3 85.49(7) . 9 ? O Nb Cl2 89.51(13) 21_666 . ? O Nb Cl2 81.14(13) . . ? Cl3 Nb Cl2 89.45(5) . . ? Cl3 Nb Cl2 83.14(5) 9 . ? O Nb Nb 95.64(13) 21_666 17_666 ? O Nb Nb 45.50(12) . 17_666 ? Cl3 Nb Nb 143.55(4) . 17_666 ? Cl3 Nb Nb 93.07(4) 9 17_666 ? Cl2 Nb Nb 126.61(4) . 17_666 ? O Nb Nb 45.58(13) 21_666 21_666 ? O Nb Nb 95.28(13) . 21_666 ? Cl3 Nb Nb 94.13(4) . 21_666 ? Cl3 Nb Nb 142.10(4) 9 21_666 ? Cl2 Nb Nb 134.76(4) . 21_666 ? Nb Nb Nb 65.47(2) 17_666 21_666 ? O Nb Nb 88.64(13) 21_666 5 ? O Nb Nb 135.50(12) . 5 ? Cl3 Nb Nb 53.91(4) . 5 ? Cl3 Nb Nb 94.04(4) 9 5 ? Cl2 Nb Nb 143.34(4) . 5 ? Nb Nb Nb 90.0 17_666 5 ? Nb Nb Nb 57.266(12) 21_666 5 ? O Nb Nb 135.58(13) 21_666 9 ? O Nb Nb 88.86(12) . 9 ? Cl3 Nb Nb 95.05(4) . 9 ? Cl3 Nb Nb 52.44(4) 9 9 ? Cl2 Nb Nb 134.63(4) . 9 ? Nb Nb Nb 57.266(12) 17_666 9 ? Nb Nb Nb 90.0 21_666 9 ? Nb Nb Nb 60.0 5 9 ? O Nb Lu 96.49(12) 21_666 . ? O Nb Lu 33.90(12) . . ? Cl3 Nb Lu 136.27(4) . . ? Cl3 Nb Lu 82.51(4) 9 . ? Cl2 Nb Lu 47.47(3) . . ? Nb Nb Lu 79.175(16) 17_666 . ? Nb Nb Lu 120.27(2) 21_666 . ? Nb Nb Lu 168.41(2) 5 . ? Nb Nb Lu 109.87(2) 9 . ? O Nb O 129.32(19) 21_666 17_666 ? O Nb O 55.04(7) . 17_666 ? Cl3 Nb O 128.28(8) . 17_666 ? Cl3 Nb O 59.50(8) 9 17_666 ? Cl2 Nb O 119.19(8) . 17_666 ? Nb Nb O 33.72(7) 17_666 17_666 ? Nb Nb O 93.14(7) 21_666 17_666 ? Nb Nb O 89.36(7) 5 17_666 ? Nb Nb O 33.82(7) 9 17_666 ? Lu Nb O 79.34(7) . 17_666 ? O Nb O 54.85(7) 21_666 5 ? O Nb O 128.80(19) . 5 ? Cl3 Nb O 60.80(8) . 5 ? Cl3 Nb O 127.41(8) 9 5 ? Cl2 Nb O 130.79(8) . 5 ? Nb Nb O 92.93(7) 17_666 5 ? Nb Nb O 33.56(7) 21_666 5 ? Nb Nb O 33.79(7) 5 5 ? Nb Nb O 89.24(7) 9 5 ? Lu Nb O 149.69(7) . 5 ? O Nb O 109.92(8) 17_666 5 ? O Nb Cl3 55.98(12) 21_666 17_666 ? O Nb Cl3 54.54(13) . 17_666 ? Cl3 Nb Cl3 134.40(5) . 17_666 ? Cl3 Nb Cl3 132.37(5) 9 17_666 ? Cl2 Nb Cl3 115.57(5) . 17_666 ? Nb Nb Cl3 39.94(3) 17_666 17_666 ? Nb Nb Cl3 40.93(3) 21_666 17_666 ? Nb Nb Cl3 93.25(2) 5 17_666 ? Nb Nb Cl3 92.65(2) 9 17_666 ? Lu Nb Cl3 81.15(3) . 17_666 ? O Nb Cl3 73.61(7) 17_666 17_666 ? O Nb Cl3 74.47(7) 5 17_666 ? O Nb Cl1 48.50(13) 21_666 22_565 ? O Nb Cl1 53.18(12) . 22_565 ? Cl3 Nb Cl1 125.23(4) . 22_565 ? Cl3 Nb Cl1 130.60(5) 9 22_565 ? Cl2 Nb Cl1 62.33(4) . 22_565 ? Nb Nb Cl1 82.314(19) 17_666 22_565 ? Nb Nb Cl1 79.43(3) 21_666 22_565 ? Nb Nb Cl1 134.86(3) 5 22_565 ? Nb Nb Cl1 138.699(19) 9 22_565 ? Lu Nb Cl1 48.22(3) . 22_565 ? O Nb Cl1 106.44(7) 17_666 22_565 ? O Nb Cl1 101.98(8) 5 22_565 ? Cl3 Nb Cl1 54.01(3) 17_666 22_565 ? O Nb Cl3 125.50(13) 21_666 5 ? O Nb Cl3 126.80(12) . 5 ? Cl3 Nb Cl3 56.65(4) . 5 ? Cl3 Nb Cl3 56.56(4) 9 5 ? Cl2 Nb Cl3 126.25(5) . 5 ? Nb Nb Cl3 92.52(2) 17_666 5 ? Nb Nb Cl3 91.91(2) 21_666 5 ? Nb Nb Cl3 37.49(2) 5 5 ? Nb Nb Cl3 38.41(2) 9 5 ? Lu Nb Cl3 137.91(3) . 5 ? O Nb Cl3 71.99(7) 17_666 5 ? O Nb Cl3 71.01(7) 5 5 ? Cl3 Nb Cl3 117.83(2) 17_666 5 ? Cl1 Nb Cl3 171.16(3) 22_565 5 ? O Nb Lu 13.58(12) 21_666 21_666 ? O Nb Lu 90.16(12) . 21_666 ? Cl3 Nb Lu 91.39(4) . 21_666 ? Cl3 Nb Lu 159.09(4) 9 21_666 ? Cl2 Nb Lu 76.15(4) . 21_666 ? Nb Nb Lu 101.51(2) 17_666 21_666 ? Nb Nb Lu 58.706(14) 21_666 21_666 ? Nb Nb Lu 100.80(2) 5 21_666 ? Nb Nb Lu 148.456(12) 9 21_666 ? Lu Nb Lu 85.571(11) . 21_666 ? O Nb Lu 134.58(7) 17_666 21_666 ? O Nb Lu 67.22(7) 5 21_666 ? Cl3 Nb Lu 61.80(2) 17_666 21_666 ? Cl1 Nb Lu 39.20(3) 22_565 21_666 ? Cl3 Nb Lu 136.36(3) 5 21_666 ? O Nb Nb 92.82(13) 21_666 13_666 ? O Nb Nb 92.74(12) . 13_666 ? Cl3 Nb Nb 96.52(4) . 13_666 ? Cl3 Nb Nb 95.06(4) 9 13_666 ? Cl2 Nb Nb 173.62(4) . 13_666 ? Nb Nb Nb 47.241(10) 17_666 13_666 ? Nb Nb Nb 47.241(10) 21_666 13_666 ? Nb Nb Nb 42.759(10) 5 13_666 ? Nb Nb Nb 42.759(10) 9 13_666 ? Lu Nb Nb 126.28(2) . 13_666 ? O Nb Nb 55.05(7) 17_666 13_666 ? O Nb Nb 54.87(7) 5 13_666 ? Cl3 Nb Nb 61.38(3) 17_666 13_666 ? Cl1 Nb Nb 115.28(2) 22_565 13_666 ? Cl3 Nb Nb 56.45(2) 5 13_666 ? Lu Nb Nb 105.848(18) 21_666 13_666 ? O Nb Pb1 109.57(13) 21_666 . ? O Nb Pb1 125.22(13) . . ? Cl3 Nb Pb1 44.66(4) . . ? Cl3 Nb Pb1 61.56(4) 9 . ? Cl2 Nb Pb1 52.02(4) . . ? Nb Nb Pb1 154.44(2) 17_666 . ? Nb Nb Pb1 136.721(18) 21_666 . ? Nb Nb Pb1 94.593(16) 5 . ? Nb Nb Pb1 103.95(2) 9 . ? Lu Nb Pb1 93.477(16) . . ? O Nb Pb1 121.06(7) 17_666 . ? O Nb Pb1 104.78(7) 5 . ? Cl3 Nb Pb1 163.39(3) 17_666 . ? Cl1 Nb Pb1 111.06(2) 22_565 . ? Cl3 Nb Pb1 76.49(3) 5 . ? Lu Nb Pb1 102.28(2) 21_666 . ? Nb Nb Pb1 132.17(3) 13_666 . ? Lu Cl1 Lu 108.01(8) . 2_665 ? Lu Cl1 Lu 126.00(4) . 18_665 ? Lu Cl1 Lu 126.00(4) 2_665 18_665 ? Lu Cl1 Nb 158.712(13) . 19_666 ? Lu Cl1 Nb 71.831(13) 2_665 19_666 ? Lu Cl1 Nb 58.17(3) 18_665 19_666 ? Lu Cl1 Nb 71.831(13) . 18_665 ? Lu Cl1 Nb 158.712(13) 2_665 18_665 ? Lu Cl1 Nb 58.17(3) 18_665 18_665 ? Nb Cl1 Nb 116.34(6) 19_666 18_665 ? Lu Cl1 Nb 53.038(7) . 4_565 ? Lu Cl1 Nb 124.29(4) 2_665 4_565 ? Lu Cl1 Nb 91.85(3) 18_665 4_565 ? Nb Cl1 Nb 145.22(5) 19_666 4_565 ? Nb Cl1 Nb 38.064(13) 18_665 4_565 ? Lu Cl1 Nb 124.29(4) . 2_665 ? Lu Cl1 Nb 53.038(7) 2_665 2_665 ? Lu Cl1 Nb 91.85(3) 18_665 2_665 ? Nb Cl1 Nb 38.064(13) 19_666 2_665 ? Nb Cl1 Nb 145.22(5) 18_665 2_665 ? Nb Cl1 Nb 176.30(6) 4_565 2_665 ? Lu Cl1 Nb 122.989(7) . 12_665 ? Lu Cl1 Nb 91.714(9) 2_665 12_665 ? Lu Cl1 Nb 60.75(3) 18_665 12_665 ? Nb Cl1 Nb 37.214(17) 19_666 12_665 ? Nb Cl1 Nb 106.32(4) 18_665 12_665 ? Nb Cl1 Nb 143.91(4) 4_565 12_665 ? Nb Cl1 Nb 39.054(14) 2_665 12_665 ? Lu Cl1 Nb 91.714(9) . 11_565 ? Lu Cl1 Nb 122.989(7) 2_665 11_565 ? Lu Cl1 Nb 60.75(3) 18_665 11_565 ? Nb Cl1 Nb 106.32(4) 19_666 11_565 ? Nb Cl1 Nb 37.214(17) 18_665 11_565 ? Nb Cl1 Nb 39.054(14) 4_565 11_565 ? Nb Cl1 Nb 143.91(4) 2_665 11_565 ? Nb Cl1 Nb 121.50(5) 12_665 11_565 ? Lu Cl1 Pb3 138.048(18) . 3_665 ? Lu Cl1 Pb3 70.993(10) 2_665 3_665 ? Lu Cl1 Pb3 69.17(2) 18_665 3_665 ? Nb Cl1 Pb3 62.864(16) 19_666 3_665 ? Nb Cl1 Pb3 94.65(3) 18_665 3_665 ? Nb Cl1 Pb3 91.653(12) 4_565 3_665 ? Nb Cl1 Pb3 89.662(12) 2_665 3_665 ? Nb Cl1 Pb3 98.80(3) 12_665 3_665 ? Nb Cl1 Pb3 59.964(14) 11_565 3_665 ? Lu Cl1 Pb3 70.993(10) . 1_565 ? Lu Cl1 Pb3 138.048(18) 2_665 1_565 ? Lu Cl1 Pb3 69.17(2) 18_665 1_565 ? Nb Cl1 Pb3 94.65(3) 19_666 1_565 ? Nb Cl1 Pb3 62.864(16) 18_665 1_565 ? Nb Cl1 Pb3 89.662(12) 4_565 1_565 ? Nb Cl1 Pb3 91.653(12) 2_665 1_565 ? Nb Cl1 Pb3 59.964(14) 12_665 1_565 ? Nb Cl1 Pb3 98.80(3) 11_565 1_565 ? Pb3 Cl1 Pb3 138.34(5) 3_665 1_565 ? Lu Cl1 Nb 98.50(5) . 3_655 ? Lu Cl1 Nb 35.615(14) 2_665 3_655 ? Lu Cl1 Nb 124.46(2) 18_665 3_655 ? Nb Cl1 Nb 92.825(13) 19_666 3_655 ? Nb Cl1 Nb 123.199(7) 18_665 3_655 ? Nb Cl1 Nb 90.71(2) 4_565 3_655 ? Nb Cl1 Nb 87.20(2) 2_665 3_655 ? Nb Cl1 Nb 123.536(9) 12_665 3_655 ? Nb Cl1 Nb 90.029(12) 11_565 3_655 ? Pb3 Cl1 Nb 55.300(7) 3_665 3_655 ? Pb3 Cl1 Nb 166.34(4) 1_565 3_655 ? Nb Cl2 Lu 85.96(5) . . ? Nb Cl2 Pb3 133.16(6) . 1_565 ? Lu Cl2 Pb3 137.79(6) . 1_565 ? Nb Cl2 Pb1 88.96(5) . . ? Lu Cl2 Pb1 144.80(6) . . ? Pb3 Cl2 Pb1 64.58(4) 1_565 . ? Nb Cl2 Lu 67.91(3) . 21_666 ? Lu Cl2 Lu 94.75(4) . 21_666 ? Pb3 Cl2 Lu 88.58(4) 1_565 21_666 ? Pb1 Cl2 Lu 115.40(4) . 21_666 ? Nb Cl2 Nb 139.49(5) . 18_665 ? Lu Cl2 Nb 60.08(3) . 18_665 ? Pb3 Cl2 Nb 77.77(3) 1_565 18_665 ? Pb1 Cl2 Nb 131.46(4) . 18_665 ? Lu Cl2 Nb 91.95(3) 21_666 18_665 ? Nb Cl2 Nb 27.78(2) . 17_666 ? Lu Cl2 Nb 58.22(3) . 17_666 ? Pb3 Cl2 Nb 157.47(5) 1_565 17_666 ? Pb1 Cl2 Nb 112.21(4) . 17_666 ? Lu Cl2 Nb 72.47(2) 21_666 17_666 ? Nb Cl2 Nb 114.06(3) 18_665 17_666 ? Nb Cl2 Nb 23.52(2) . 21_666 ? Lu Cl2 Nb 87.52(4) . 21_666 ? Pb3 Cl2 Nb 121.55(4) 1_565 21_666 ? Pb1 Cl2 Nb 101.15(4) . 21_666 ? Lu Cl2 Nb 44.460(15) 21_666 21_666 ? Nb Cl2 Nb 125.01(3) 18_665 21_666 ? Nb Cl2 Nb 35.929(16) 17_666 21_666 ? Nb Cl2 Pb1 139.33(5) . 13_676 ? Lu Cl2 Pb1 106.86(4) . 13_676 ? Pb3 Cl2 Pb1 34.98(2) 1_565 13_676 ? Pb1 Cl2 Pb1 99.56(4) . 13_676 ? Lu Cl2 Pb1 72.58(2) 21_666 13_676 ? Nb Cl2 Pb1 49.341(17) 18_665 13_676 ? Nb Cl2 Pb1 140.22(4) 17_666 13_676 ? Nb Cl2 Pb1 116.64(3) 21_666 13_676 ? Nb Cl2 Nb 24.52(2) . 9 ? Lu Cl2 Nb 80.17(3) . 9 ? Pb3 Cl2 Nb 141.85(5) 1_565 9 ? Pb1 Cl2 Nb 80.91(4) . 9 ? Lu Cl2 Nb 92.21(3) 21_666 9 ? Nb Cl2 Nb 140.25(3) 18_665 9 ? Nb Cl2 Nb 32.198(14) 17_666 9 ? Nb Cl2 Nb 47.766(17) 21_666 9 ? Pb1 Cl2 Nb 163.50(3) 13_676 9 ? Nb Cl2 Lu 153.43(5) . 18_665 ? Lu Cl2 Lu 75.42(3) . 18_665 ? Pb3 Cl2 Lu 71.23(3) 1_565 18_665 ? Pb1 Cl2 Lu 95.38(3) . 18_665 ? Lu Cl2 Lu 131.51(4) 21_666 18_665 ? Nb Cl2 Lu 41.678(14) 18_665 18_665 ? Nb Cl2 Lu 130.63(3) 17_666 18_665 ? Nb Cl2 Lu 162.41(3) 21_666 18_665 ? Pb1 Cl2 Lu 65.737(18) 13_676 18_665 ? Nb Cl2 Lu 130.75(3) 9 18_665 ? Nb Cl2 Nb 125.32(5) . 12_665 ? Lu Cl2 Nb 105.41(4) . 12_665 ? Pb3 Cl2 Nb 67.88(3) 1_565 12_665 ? Pb1 Cl2 Nb 51.49(2) . 12_665 ? Lu Cl2 Nb 156.08(4) 21_666 12_665 ? Nb Cl2 Nb 87.23(3) 18_665 12_665 ? Nb Cl2 Nb 129.28(3) 17_666 12_665 ? Nb Cl2 Nb 146.90(4) 21_666 12_665 ? Pb1 Cl2 Nb 89.09(2) 13_676 12_665 ? Nb Cl2 Nb 103.63(3) 9 12_665 ? Lu Cl2 Nb 46.005(14) 18_665 12_665 ? Nb Cl3 Nb 73.65(5) . 5 ? Nb Cl3 Pb1 98.48(5) . . ? Nb Cl3 Pb1 151.09(7) 5 . ? Nb Cl3 Pb1 132.63(6) . 4_566 ? Nb Cl3 Pb1 80.82(4) 5 4_566 ? Pb1 Cl3 Pb1 85.15(6) . 4_566 ? Nb Cl3 Pb2 110.60(5) . . ? Nb Cl3 Pb2 109.42(5) 5 . ? Pb1 Cl3 Pb2 46.36(3) . . ? Pb1 Cl3 Pb2 43.36(3) 4_566 . ? Nb Cl3 Nb 45.93(3) . 21_666 ? Nb Cl3 Nb 46.00(3) 5 21_666 ? Pb1 Cl3 Nb 142.06(5) . 21_666 ? Pb1 Cl3 Nb 126.74(4) 4_566 21_666 ? Pb2 Cl3 Nb 145.03(4) . 21_666 ? Nb Cl3 Nb 47.45(3) . 9 ? Nb Cl3 Nb 47.54(3) 5 9 ? Pb1 Cl3 Nb 106.59(4) . 9 ? Pb1 Cl3 Nb 86.04(3) 4_566 9 ? Pb2 Cl3 Nb 82.88(3) . 9 ? Nb Cl3 Nb 62.17(2) 21_666 9 ? Nb Cl3 Lu 107.34(5) . 5 ? Nb Cl3 Lu 59.48(3) 5 5 ? Pb1 Cl3 Lu 146.73(5) . 5 ? Pb1 Cl3 Lu 92.22(4) 4_566 5 ? Pb2 Cl3 Lu 134.73(4) . 5 ? Nb Cl3 Lu 61.66(2) 21_666 5 ? Nb Cl3 Lu 106.31(3) 9 5 ? Nb Cl3 Pb3 82.19(4) . 1_565 ? Nb Cl3 Pb3 152.70(5) 5 1_565 ? Pb1 Cl3 Pb3 44.33(3) . 1_565 ? Pb1 Cl3 Pb3 125.82(4) 4_566 1_565 ? Pb2 Cl3 Pb3 90.69(3) . 1_565 ? Nb Cl3 Pb3 107.36(3) 21_666 1_565 ? Nb Cl3 Pb3 120.94(3) 9 1_565 ? Lu Cl3 Pb3 118.40(4) 5 1_565 ? Nb Cl3 Lu 122.29(5) . 6_566 ? Nb Cl3 Lu 118.16(5) 5 6_566 ? Pb1 Cl3 Lu 89.80(4) . 6_566 ? Pb1 Cl3 Lu 104.86(3) 4_566 6_566 ? Pb2 Cl3 Lu 115.60(3) . 6_566 ? Nb Cl3 Lu 99.26(3) 21_666 6_566 ? Nb Cl3 Lu 161.21(4) 9 6_566 ? Lu Cl3 Lu 58.80(2) 5 6_566 ? Pb3 Cl3 Lu 65.03(2) 1_565 6_566 ? Nb Cl3 Lu 57.61(3) . 21_666 ? Nb Cl3 Lu 91.31(4) 5 21_666 ? Pb1 Cl3 Lu 108.14(5) . 21_666 ? Pb1 Cl3 Lu 162.90(5) 4_566 21_666 ? Pb2 Cl3 Lu 152.88(4) . 21_666 ? Nb Cl3 Lu 46.560(18) 21_666 21_666 ? Nb Cl3 Lu 99.87(3) 9 21_666 ? Lu Cl3 Lu 70.75(2) 5 21_666 ? Pb3 Cl3 Lu 64.58(2) 1_565 21_666 ? Lu Cl3 Lu 65.51(2) 6_566 21_666 ? Nb Cl3 Nb 144.68(5) . 6_566 ? Nb Cl3 Nb 140.24(5) 5 6_566 ? Pb1 Cl3 Nb 57.03(2) . 6_566 ? Pb1 Cl3 Nb 74.90(2) 4_566 6_566 ? Pb2 Cl3 Nb 72.52(2) . 6_566 ? Nb Cl3 Nb 142.37(4) 21_666 6_566 ? Nb Cl3 Nb 155.32(4) 9 6_566 ? Lu Cl3 Nb 90.22(3) 5 6_566 ? Pb3 Cl3 Nb 62.496(19) 1_565 6_566 ? Lu Cl3 Nb 43.113(15) 6_566 6_566 ? Lu Cl3 Nb 102.88(3) 21_666 6_566 ? Nb O Nb 88.92(17) 17_666 . ? Nb O Lu 154.2(2) 17_666 . ? Nb O Lu 115.8(2) . . ? Nb O Nb 57.54(11) 17_666 21_666 ? Nb O Nb 51.00(10) . 21_666 ? Lu O Nb 144.36(17) . 21_666 ? Nb O Nb 50.80(10) 17_666 9 ? Nb O Nb 57.35(10) . 9 ? Lu O Nb 135.99(17) . 9 ? Nb O Nb 70.08(8) 21_666 9 ? Nb O Lu 55.90(10) 17_666 17_666 ? Nb O Lu 119.03(15) . 17_666 ? Lu O Lu 102.44(14) . 17_666 ? Nb O Lu 112.72(10) 21_666 17_666 ? Nb O Lu 62.03(6) 9 17_666 ? Nb O Lu 103.91(15) 17_666 21_666 ? Nb O Lu 63.87(11) . 21_666 ? Lu O Lu 94.37(12) . 21_666 ? Nb O Lu 50.14(5) 21_666 21_666 ? Nb O Lu 114.00(10) 9 21_666 ? Lu O Lu 158.05(11) 17_666 21_666 ? Nb O Nb 27.00(8) 17_666 13_666 ? Nb O Nb 61.92(11) . 13_666 ? Lu O Nb 172.79(16) . 13_666 ? Nb O Nb 40.43(4) 21_666 13_666 ? Nb O Nb 36.79(4) 9 13_666 ? Lu O Nb 74.20(6) 17_666 13_666 ? Lu O Nb 90.54(8) 21_666 13_666 ? Nb O Nb 61.89(11) 17_666 5 ? Nb O Nb 27.03(8) . 5 ? Lu O Nb 142.48(16) . 5 ? Nb O Nb 36.77(4) 21_666 5 ? Nb O Nb 40.42(5) 9 5 ? Lu O Nb 100.10(8) 17_666 5 ? Lu O Nb 73.61(6) 21_666 5 ? Nb O Nb 34.89(3) 13_666 5 ? Nb O Pb3 78.04(12) 17_666 4 ? Nb O Pb3 159.60(17) . 4 ? Lu O Pb3 79.97(11) . 4 ? Nb O Pb3 108.61(10) 21_666 4 ? Nb O Pb3 121.13(10) 9 4 ? Lu O Pb3 66.02(6) 17_666 4 ? Lu O Pb3 103.83(8) 21_666 4 ? Nb O Pb3 104.00(8) 13_666 4 ? Nb O Pb3 137.04(10) 5 4 ? Nb O Pb1 48.99(10) 17_666 16_655 ? Nb O Pb1 122.75(16) . 16_655 ? Lu O Pb1 115.00(14) . 16_655 ? Nb O Pb1 72.34(7) 21_666 16_655 ? Nb O Pb1 99.70(9) 9 16_655 ? Lu O Pb1 72.41(6) 17_666 16_655 ? Lu O Pb1 87.80(7) 21_666 16_655 ? Nb O Pb1 70.42(6) 13_666 16_655 ? Nb O Pb1 100.21(8) 5 16_655 ? Pb3 O Pb1 37.48(3) 4 16_655 ? Pb2 Pb1 Cl3 83.34(4) . 6_566 ? Pb2 Pb1 Cl3 83.34(4) . . ? Cl3 Pb1 Cl3 118.674(16) 6_566 . ? Pb2 Pb1 Cl3 83.34(4) . 12_665 ? Cl3 Pb1 Cl3 118.674(16) 6_566 12_665 ? Cl3 Pb1 Cl3 118.674(16) . 12_665 ? Pb2 Pb1 Cl2 129.08(3) . . ? Cl3 Pb1 Cl2 147.55(6) 6_566 . ? Cl3 Pb1 Cl2 70.74(4) . . ? Cl3 Pb1 Cl2 72.86(4) 12_665 . ? Pb2 Pb1 Cl2 129.08(3) . 12_665 ? Cl3 Pb1 Cl2 72.86(4) 6_566 12_665 ? Cl3 Pb1 Cl2 147.55(6) . 12_665 ? Cl3 Pb1 Cl2 70.74(4) 12_665 12_665 ? Cl2 Pb1 Cl2 84.49(5) . 12_665 ? Pb2 Pb1 Cl2 129.08(3) . 6_566 ? Cl3 Pb1 Cl2 70.74(4) 6_566 6_566 ? Cl3 Pb1 Cl2 72.86(4) . 6_566 ? Cl3 Pb1 Cl2 147.55(6) 12_665 6_566 ? Cl2 Pb1 Cl2 84.49(5) . 6_566 ? Cl2 Pb1 Cl2 84.49(5) 12_665 6_566 ? Pb2 Pb1 Pb3 180.00(2) . 1_565 ? Cl3 Pb1 Pb3 96.66(4) 6_566 1_565 ? Cl3 Pb1 Pb3 96.66(4) . 1_565 ? Cl3 Pb1 Pb3 96.66(4) 12_665 1_565 ? Cl2 Pb1 Pb3 50.92(3) . 1_565 ? Cl2 Pb1 Pb3 50.92(3) 12_665 1_565 ? Cl2 Pb1 Pb3 50.92(3) 6_566 1_565 ? Pb2 Pb1 Cl3 70.44(3) . 9 ? Cl3 Pb1 Cl3 153.72(6) 6_566 9 ? Cl3 Pb1 Cl3 61.33(5) . 9 ? Cl3 Pb1 Cl3 57.77(5) 12_665 9 ? Cl2 Pb1 Cl3 58.72(4) . 9 ? Cl2 Pb1 Cl3 122.58(4) 12_665 9 ? Cl2 Pb1 Cl3 127.86(4) 6_566 9 ? Pb3 Pb1 Cl3 109.56(3) 1_565 9 ? Pb2 Pb1 Cl3 70.44(3) . 7_665 ? Cl3 Pb1 Cl3 57.77(5) 6_566 7_665 ? Cl3 Pb1 Cl3 153.72(6) . 7_665 ? Cl3 Pb1 Cl3 61.33(5) 12_665 7_665 ? Cl2 Pb1 Cl3 127.86(4) . 7_665 ? Cl2 Pb1 Cl3 58.72(4) 12_665 7_665 ? Cl2 Pb1 Cl3 122.58(4) 6_566 7_665 ? Pb3 Pb1 Cl3 109.56(3) 1_565 7_665 ? Cl3 Pb1 Cl3 109.39(3) 9 7_665 ? Pb2 Pb1 Cl3 70.44(3) . 4_566 ? Cl3 Pb1 Cl3 61.33(5) 6_566 4_566 ? Cl3 Pb1 Cl3 57.77(5) . 4_566 ? Cl3 Pb1 Cl3 153.72(6) 12_665 4_566 ? Cl2 Pb1 Cl3 122.58(4) . 4_566 ? Cl2 Pb1 Cl3 127.86(4) 12_665 4_566 ? Cl2 Pb1 Cl3 58.72(4) 6_566 4_566 ? Pb3 Pb1 Cl3 109.56(3) 1_565 4_566 ? Cl3 Pb1 Cl3 109.39(3) 9 4_566 ? Cl3 Pb1 Cl3 109.39(3) 7_665 4_566 ? Pb2 Pb1 Nb 96.62(2) . . ? Cl3 Pb1 Nb 154.63(3) 6_566 . ? Cl3 Pb1 Nb 36.86(3) . . ? Cl3 Pb1 Nb 86.37(3) 12_665 . ? Cl2 Pb1 Nb 39.02(3) . . ? Cl2 Pb1 Nb 123.46(4) 12_665 . ? Cl2 Pb1 Nb 90.43(3) 6_566 . ? Pb3 Pb1 Nb 83.38(2) 1_565 . ? Cl3 Pb1 Nb 37.61(2) 9 . ? Cl3 Pb1 Nb 145.84(3) 7_665 . ? Cl3 Pb1 Nb 94.61(2) 4_566 . ? Pb2 Pb1 Nb 96.62(2) . 12_665 ? Cl3 Pb1 Nb 86.37(3) 6_566 12_665 ? Cl3 Pb1 Nb 154.63(3) . 12_665 ? Cl3 Pb1 Nb 36.86(3) 12_665 12_665 ? Cl2 Pb1 Nb 90.43(3) . 12_665 ? Cl2 Pb1 Nb 39.02(3) 12_665 12_665 ? Cl2 Pb1 Nb 123.46(4) 6_566 12_665 ? Pb3 Pb1 Nb 83.38(2) 1_565 12_665 ? Cl3 Pb1 Nb 94.61(2) 9 12_665 ? Cl3 Pb1 Nb 37.61(2) 7_665 12_665 ? Cl3 Pb1 Nb 145.84(3) 4_566 12_665 ? Nb Pb1 Nb 118.689(8) . 12_665 ? Pb2 Pb1 Nb 96.62(2) . 6_566 ? Cl3 Pb1 Nb 36.86(3) 6_566 6_566 ? Cl3 Pb1 Nb 86.37(3) . 6_566 ? Cl3 Pb1 Nb 154.63(3) 12_665 6_566 ? Cl2 Pb1 Nb 123.46(4) . 6_566 ? Cl2 Pb1 Nb 90.43(3) 12_665 6_566 ? Cl2 Pb1 Nb 39.02(3) 6_566 6_566 ? Pb3 Pb1 Nb 83.38(2) 1_565 6_566 ? Cl3 Pb1 Nb 145.84(3) 9 6_566 ? Cl3 Pb1 Nb 94.61(2) 7_665 6_566 ? Cl3 Pb1 Nb 37.61(2) 4_566 6_566 ? Nb Pb1 Nb 118.689(8) . 6_566 ? Nb Pb1 Nb 118.689(8) 12_665 6_566 ? Pb2 Pb1 Pb1 35.3 . 3_656 ? Cl3 Pb1 Pb1 54.40(4) 6_566 3_656 ? Cl3 Pb1 Pb1 114.25(4) . 3_656 ? Cl3 Pb1 Pb1 83.53(4) 12_665 3_656 ? Cl2 Pb1 Pb1 154.38(3) . 3_656 ? Cl2 Pb1 Pb1 97.21(3) 12_665 3_656 ? Cl2 Pb1 Pb1 121.13(3) 6_566 3_656 ? Pb3 Pb1 Pb1 144.7 1_565 3_656 ? Cl3 Pb1 Pb1 100.33(3) 9 3_656 ? Cl3 Pb1 Pb1 40.45(3) 7_665 3_656 ? Cl3 Pb1 Pb1 76.22(3) 4_566 3_656 ? Nb Pb1 Pb1 131.62(2) . 3_656 ? Nb Pb1 Pb1 75.817(19) 12_665 3_656 ? Nb Pb1 Pb1 82.141(18) 6_566 3_656 ? Pb2 Pb1 Pb1 35.3 . 4_566 ? Cl3 Pb1 Pb1 83.53(4) 6_566 4_566 ? Cl3 Pb1 Pb1 54.40(4) . 4_566 ? Cl3 Pb1 Pb1 114.25(4) 12_665 4_566 ? Cl2 Pb1 Pb1 121.13(3) . 4_566 ? Cl2 Pb1 Pb1 154.38(3) 12_665 4_566 ? Cl2 Pb1 Pb1 97.21(3) 6_566 4_566 ? Pb3 Pb1 Pb1 144.7 1_565 4_566 ? Cl3 Pb1 Pb1 76.22(3) 9 4_566 ? Cl3 Pb1 Pb1 100.33(3) 7_665 4_566 ? Cl3 Pb1 Pb1 40.45(3) 4_566 4_566 ? Nb Pb1 Pb1 82.141(18) . 4_566 ? Nb Pb1 Pb1 131.62(2) 12_665 4_566 ? Nb Pb1 Pb1 75.817(18) 6_566 4_566 ? Pb1 Pb1 Pb1 60.0 3_656 4_566 ? Pb2 Pb1 Pb1 35.3 . 2_665 ? Cl3 Pb1 Pb1 114.25(4) 6_566 2_665 ? Cl3 Pb1 Pb1 83.53(4) . 2_665 ? Cl3 Pb1 Pb1 54.40(4) 12_665 2_665 ? Cl2 Pb1 Pb1 97.21(3) . 2_665 ? Cl2 Pb1 Pb1 121.13(3) 12_665 2_665 ? Cl2 Pb1 Pb1 154.38(3) 6_566 2_665 ? Pb3 Pb1 Pb1 144.7 1_565 2_665 ? Cl3 Pb1 Pb1 40.45(3) 9 2_665 ? Cl3 Pb1 Pb1 76.22(3) 7_665 2_665 ? Cl3 Pb1 Pb1 100.33(3) 4_566 2_665 ? Nb Pb1 Pb1 75.817(18) . 2_665 ? Nb Pb1 Pb1 82.141(18) 12_665 2_665 ? Nb Pb1 Pb1 131.62(2) 6_566 2_665 ? Pb1 Pb1 Pb1 60.0 3_656 2_665 ? Pb1 Pb1 Pb1 60.0 4_566 2_665 ? Pb2 Pb1 Cl3 46.90(2) . 11_566 ? Cl3 Pb1 Cl3 40.38(4) 6_566 11_566 ? Cl3 Pb1 Cl3 92.84(5) . 11_566 ? Cl3 Pb1 Cl3 118.32(4) 12_665 11_566 ? Cl2 Pb1 Cl3 163.52(3) . 11_566 ? Cl2 Pb1 Cl3 110.17(3) 12_665 11_566 ? Cl2 Pb1 Cl3 89.34(3) 6_566 11_566 ? Pb3 Pb1 Cl3 133.10(2) 1_565 11_566 ? Cl3 Pb1 Cl3 115.22(4) 9 11_566 ? Cl3 Pb1 Cl3 68.08(4) 7_665 11_566 ? Cl3 Pb1 Cl3 42.36(3) 4_566 11_566 ? Nb Pb1 Cl3 126.08(3) . 11_566 ? Nb Pb1 Cl3 105.68(2) 12_665 11_566 ? Nb Pb1 Cl3 51.482(19) 6_566 11_566 ? Pb1 Pb1 Cl3 34.921(18) 3_656 11_566 ? Pb1 Pb1 Cl3 44.533(18) 4_566 11_566 ? Pb1 Pb1 Cl3 81.90(2) 2_665 11_566 ? Pb1 Pb2 Pb1 109.5 3_656 . ? Pb1 Pb2 Pb1 109.5 3_656 4_566 ? Pb1 Pb2 Pb1 109.5 . 4_566 ? Pb1 Pb2 Pb1 109.5 3_656 2_665 ? Pb1 Pb2 Pb1 109.5 . 2_665 ? Pb1 Pb2 Pb1 109.5 4_566 2_665 ? Pb1 Pb2 Cl3 148.45(2) 3_656 5 ? Pb1 Pb2 Cl3 100.96(2) . 5 ? Pb1 Pb2 Cl3 50.30(2) 4_566 5 ? Pb1 Pb2 Cl3 66.20(2) 2_665 5 ? Pb1 Pb2 Cl3 50.30(2) 3_656 11_566 ? Pb1 Pb2 Cl3 100.96(2) . 11_566 ? Pb1 Pb2 Cl3 66.20(2) 4_566 11_566 ? Pb1 Pb2 Cl3 148.45(2) 2_665 11_566 ? Cl3 Pb2 Cl3 116.472(14) 5 11_566 ? Pb1 Pb2 Cl3 148.45(2) 3_656 9 ? Pb1 Pb2 Cl3 66.20(2) . 9 ? Pb1 Pb2 Cl3 100.96(2) 4_566 9 ? Pb1 Pb2 Cl3 50.30(2) 2_665 9 ? Cl3 Pb2 Cl3 53.89(4) 5 9 ? Cl3 Pb2 Cl3 158.69(5) 11_566 9 ? Pb1 Pb2 Cl3 50.30(2) 3_656 7_665 ? Pb1 Pb2 Cl3 66.20(2) . 7_665 ? Pb1 Pb2 Cl3 148.45(2) 4_566 7_665 ? Pb1 Pb2 Cl3 100.96(2) 2_665 7_665 ? Cl3 Pb2 Cl3 158.69(4) 5 7_665 ? Cl3 Pb2 Cl3 83.57(3) 11_566 7_665 ? Cl3 Pb2 Cl3 104.81(2) 9 7_665 ? Pb1 Pb2 Cl3 148.45(2) 3_656 . ? Pb1 Pb2 Cl3 50.30(2) . . ? Pb1 Pb2 Cl3 66.20(2) 4_566 . ? Pb1 Pb2 Cl3 100.96(2) 2_665 . ? Cl3 Pb2 Cl3 53.89(4) 5 . ? Cl3 Pb2 Cl3 104.81(3) 11_566 . ? Cl3 Pb2 Cl3 53.89(4) 9 . ? Cl3 Pb2 Cl3 116.472(14) 7_665 . ? Pb1 Pb2 Cl3 66.20(2) 3_656 10_656 ? Pb1 Pb2 Cl3 148.45(2) . 10_656 ? Pb1 Pb2 Cl3 50.30(2) 4_566 10_656 ? Pb1 Pb2 Cl3 100.96(2) 2_665 10_656 ? Cl3 Pb2 Cl3 83.57(3) 5 10_656 ? Cl3 Pb2 Cl3 50.97(4) 11_566 10_656 ? Cl3 Pb2 Cl3 134.28(4) 9 10_656 ? Cl3 Pb2 Cl3 116.472(14) 7_665 10_656 ? Cl3 Pb2 Cl3 116.472(14) . 10_656 ? Pb1 Pb2 Cl3 66.20(2) 3_656 6_566 ? Pb1 Pb2 Cl3 50.30(2) . 6_566 ? Pb1 Pb2 Cl3 100.96(2) 4_566 6_566 ? Pb1 Pb2 Cl3 148.45(2) 2_665 6_566 ? Cl3 Pb2 Cl3 134.28(4) 5 6_566 ? Cl3 Pb2 Cl3 53.89(4) 11_566 6_566 ? Cl3 Pb2 Cl3 116.472(14) 9 6_566 ? Cl3 Pb2 Cl3 50.97(4) 7_665 6_566 ? Cl3 Pb2 Cl3 83.57(3) . 6_566 ? Cl3 Pb2 Cl3 104.81(3) 10_656 6_566 ? Pb1 Pb2 Cl3 50.30(2) 3_656 3_656 ? Pb1 Pb2 Cl3 148.45(2) . 3_656 ? Pb1 Pb2 Cl3 100.96(2) 4_566 3_656 ? Pb1 Pb2 Cl3 66.20(2) 2_665 3_656 ? Cl3 Pb2 Cl3 104.81(3) 5 3_656 ? Cl3 Pb2 Cl3 83.57(3) 11_566 3_656 ? Cl3 Pb2 Cl3 116.472(14) 9 3_656 ? Cl3 Pb2 Cl3 83.57(3) 7_665 3_656 ? Cl3 Pb2 Cl3 158.69(4) . 3_656 ? Cl3 Pb2 Cl3 53.89(4) 10_656 3_656 ? Cl3 Pb2 Cl3 116.472(14) 6_566 3_656 ? Pb1 Pb2 Cl3 100.96(2) 3_656 8_656 ? Pb1 Pb2 Cl3 148.45(2) . 8_656 ? Pb1 Pb2 Cl3 66.20(2) 4_566 8_656 ? Pb1 Pb2 Cl3 50.30(2) 2_665 8_656 ? Cl3 Pb2 Cl3 50.97(4) 5 8_656 ? Cl3 Pb2 Cl3 104.81(3) 11_566 8_656 ? Cl3 Pb2 Cl3 83.57(3) 9 8_656 ? Cl3 Pb2 Cl3 134.28(4) 7_665 8_656 ? Cl3 Pb2 Cl3 104.81(3) . 8_656 ? Cl3 Pb2 Cl3 53.89(4) 10_656 8_656 ? Cl3 Pb2 Cl3 158.69(4) 6_566 8_656 ? Cl3 Pb2 Cl3 53.89(4) 3_656 8_656 ? Pb1 Pb2 Cl3 100.96(2) 3_656 12_665 ? Pb1 Pb2 Cl3 50.30(2) . 12_665 ? Pb1 Pb2 Cl3 148.45(2) 4_566 12_665 ? Pb1 Pb2 Cl3 66.20(2) 2_665 12_665 ? Cl3 Pb2 Cl3 104.81(3) 5 12_665 ? Cl3 Pb2 Cl3 134.28(4) 11_566 12_665 ? Cl3 Pb2 Cl3 50.97(4) 9 12_665 ? Cl3 Pb2 Cl3 53.89(4) 7_665 12_665 ? Cl3 Pb2 Cl3 83.57(3) . 12_665 ? Cl3 Pb2 Cl3 158.69(5) 10_656 12_665 ? Cl3 Pb2 Cl3 83.57(3) 6_566 12_665 ? Cl3 Pb2 Cl3 104.81(2) 3_656 12_665 ? Cl3 Pb2 Cl3 116.472(14) 8_656 12_665 ? Pb1 Pb2 Cl3 100.96(2) 3_656 4_566 ? Pb1 Pb2 Cl3 66.20(2) . 4_566 ? Pb1 Pb2 Cl3 50.30(2) 4_566 4_566 ? Pb1 Pb2 Cl3 148.45(2) 2_665 4_566 ? Cl3 Pb2 Cl3 83.57(3) 5 4_566 ? Cl3 Pb2 Cl3 53.89(4) 11_566 4_566 ? Cl3 Pb2 Cl3 104.81(3) 9 4_566 ? Cl3 Pb2 Cl3 104.81(3) 7_665 4_566 ? Cl3 Pb2 Cl3 50.97(4) . 4_566 ? Cl3 Pb2 Cl3 83.57(3) 10_656 4_566 ? Cl3 Pb2 Cl3 53.89(4) 6_566 4_566 ? Cl3 Pb2 Cl3 134.28(4) 3_656 4_566 ? Cl3 Pb2 Cl3 116.472(14) 8_656 4_566 ? Cl3 Pb2 Cl3 116.472(14) 12_665 4_566 ? Pb1 Pb2 Cl3 66.20(2) 3_656 2_665 ? Pb1 Pb2 Cl3 100.96(2) . 2_665 ? Pb1 Pb2 Cl3 148.45(2) 4_566 2_665 ? Pb1 Pb2 Cl3 50.30(2) 2_665 2_665 ? Cl3 Pb2 Cl3 116.472(14) 5 2_665 ? Cl3 Pb2 Cl3 116.472(14) 11_566 2_665 ? Cl3 Pb2 Cl3 83.57(3) 9 2_665 ? Cl3 Pb2 Cl3 53.89(4) 7_665 2_665 ? Cl3 Pb2 Cl3 134.28(4) . 2_665 ? Cl3 Pb2 Cl3 104.81(3) 10_656 2_665 ? Cl3 Pb2 Cl3 104.81(3) 6_566 2_665 ? Cl3 Pb2 Cl3 50.97(4) 3_656 2_665 ? Cl3 Pb2 Cl3 83.57(3) 8_656 2_665 ? Cl3 Pb2 Cl3 53.89(4) 12_665 2_665 ? Cl3 Pb2 Cl3 158.69(4) 4_566 2_665 ? Pb1 Pb2 Nb 160.429(6) 3_656 9 ? Pb1 Pb2 Nb 84.749(6) . 9 ? Pb1 Pb2 Nb 76.627(6) 4_566 9 ? Pb1 Pb2 Nb 51.727(6) 2_665 9 ? Cl3 Pb2 Nb 27.44(2) 5 9 ? Cl3 Pb2 Nb 142.22(2) 11_566 9 ? Cl3 Pb2 Nb 26.66(2) 9 9 ? Cl3 Pb2 Nb 131.29(2) 7_665 9 ? Cl3 Pb2 Nb 51.12(2) . 9 ? Cl3 Pb2 Nb 108.74(2) 10_656 9 ? Cl3 Pb2 Nb 132.09(2) 6_566 9 ? Cl3 Pb2 Nb 110.82(2) 3_656 9 ? Cl3 Pb2 Nb 63.73(2) 8_656 9 ? Cl3 Pb2 Nb 77.41(2) 12_665 9 ? Cl3 Pb2 Nb 97.07(2) 4_566 9 ? Cl3 Pb2 Nb 98.59(2) 2_665 9 ? Pb1 Pb2 Nb 160.429(6) 3_656 5 ? Pb1 Pb2 Nb 76.627(6) . 5 ? Pb1 Pb2 Nb 51.727(6) 4_566 5 ? Pb1 Pb2 Nb 84.749(6) 2_665 5 ? Cl3 Pb2 Nb 26.66(2) 5 5 ? Cl3 Pb2 Nb 110.82(2) 11_566 5 ? Cl3 Pb2 Nb 51.12(2) 9 5 ? Cl3 Pb2 Nb 142.22(2) 7_665 5 ? Cl3 Pb2 Nb 27.44(2) . 5 ? Cl3 Pb2 Nb 98.59(2) 10_656 5 ? Cl3 Pb2 Nb 108.74(2) 6_566 5 ? Cl3 Pb2 Nb 131.29(2) 3_656 5 ? Cl3 Pb2 Nb 77.41(2) 8_656 5 ? Cl3 Pb2 Nb 97.07(2) 12_665 5 ? Cl3 Pb2 Nb 63.73(2) 4_566 5 ? Cl3 Pb2 Nb 132.09(2) 2_665 5 ? Nb Pb2 Nb 33.728(9) 9 5 ? Cl2 Pb3 Cl2 77.17(4) 1_545 24_556 ? Cl2 Pb3 Cl2 102.83(4) 1_545 12_655 ? Cl2 Pb3 Cl2 180.0 24_556 12_655 ? Cl2 Pb3 Cl2 180.0 1_545 13_666 ? Cl2 Pb3 Cl2 102.83(4) 24_556 13_666 ? Cl2 Pb3 Cl2 77.17(4) 12_655 13_666 ? Cl2 Pb3 Cl2 102.83(4) 1_545 6_556 ? Cl2 Pb3 Cl2 77.17(4) 24_556 6_556 ? Cl2 Pb3 Cl2 102.83(4) 12_655 6_556 ? Cl2 Pb3 Cl2 77.17(4) 13_666 6_556 ? Cl2 Pb3 Cl2 77.17(4) 1_545 18_655 ? Cl2 Pb3 Cl2 102.83(4) 24_556 18_655 ? Cl2 Pb3 Cl2 77.17(4) 12_655 18_655 ? Cl2 Pb3 Cl2 102.83(4) 13_666 18_655 ? Cl2 Pb3 Cl2 180.0 6_556 18_655 ? Cl2 Pb3 Pb1 115.50(3) 1_545 13_666 ? Cl2 Pb3 Pb1 64.50(3) 24_556 13_666 ? Cl2 Pb3 Pb1 115.50(3) 12_655 13_666 ? Cl2 Pb3 Pb1 64.50(3) 13_666 13_666 ? Cl2 Pb3 Pb1 115.50(3) 6_556 13_666 ? Cl2 Pb3 Pb1 64.50(3) 18_655 13_666 ? Cl2 Pb3 Pb1 64.50(3) 1_545 1_545 ? Cl2 Pb3 Pb1 115.50(3) 24_556 1_545 ? Cl2 Pb3 Pb1 64.50(3) 12_655 1_545 ? Cl2 Pb3 Pb1 115.50(3) 13_666 1_545 ? Cl2 Pb3 Pb1 64.50(3) 6_556 1_545 ? Cl2 Pb3 Pb1 115.50(3) 18_655 1_545 ? Pb1 Pb3 Pb1 180.0 13_666 1_545 ? Cl2 Pb3 Cl3 76.50(4) 1_545 18_655 ? Cl2 Pb3 Cl3 52.73(4) 24_556 18_655 ? Cl2 Pb3 Cl3 127.27(4) 12_655 18_655 ? Cl2 Pb3 Cl3 103.50(4) 13_666 18_655 ? Cl2 Pb3 Cl3 129.16(4) 6_556 18_655 ? Cl2 Pb3 Cl3 50.84(4) 18_655 18_655 ? Pb1 Pb3 Cl3 39.011(19) 13_666 18_655 ? Pb1 Pb3 Cl3 140.989(19) 1_545 18_655 ? Cl2 Pb3 Cl3 103.50(4) 1_545 6_556 ? Cl2 Pb3 Cl3 127.27(4) 24_556 6_556 ? Cl2 Pb3 Cl3 52.73(4) 12_655 6_556 ? Cl2 Pb3 Cl3 76.50(4) 13_666 6_556 ? Cl2 Pb3 Cl3 50.84(4) 6_556 6_556 ? Cl2 Pb3 Cl3 129.16(4) 18_655 6_556 ? Pb1 Pb3 Cl3 140.989(19) 13_666 6_556 ? Pb1 Pb3 Cl3 39.011(19) 1_545 6_556 ? Cl3 Pb3 Cl3 180.0 18_655 6_556 ? Cl2 Pb3 Cl3 127.27(4) 1_545 24_556 ? Cl2 Pb3 Cl3 50.84(4) 24_556 24_556 ? Cl2 Pb3 Cl3 129.16(4) 12_655 24_556 ? Cl2 Pb3 Cl3 52.73(4) 13_666 24_556 ? Cl2 Pb3 Cl3 76.50(4) 6_556 24_556 ? Cl2 Pb3 Cl3 103.50(4) 18_655 24_556 ? Pb1 Pb3 Cl3 39.011(19) 13_666 24_556 ? Pb1 Pb3 Cl3 140.989(19) 1_545 24_556 ? Cl3 Pb3 Cl3 66.07(3) 18_655 24_556 ? Cl3 Pb3 Cl3 113.93(3) 6_556 24_556 ? Cl2 Pb3 Cl3 129.16(4) 1_545 13_666 ? Cl2 Pb3 Cl3 103.50(4) 24_556 13_666 ? Cl2 Pb3 Cl3 76.50(4) 12_655 13_666 ? Cl2 Pb3 Cl3 50.84(4) 13_666 13_666 ? Cl2 Pb3 Cl3 127.27(4) 6_556 13_666 ? Cl2 Pb3 Cl3 52.73(4) 18_655 13_666 ? Pb1 Pb3 Cl3 39.011(19) 13_666 13_666 ? Pb1 Pb3 Cl3 140.99(2) 1_545 13_666 ? Cl3 Pb3 Cl3 66.07(3) 18_655 13_666 ? Cl3 Pb3 Cl3 113.93(3) 6_556 13_666 ? Cl3 Pb3 Cl3 66.07(3) 24_556 13_666 ? Cl2 Pb3 Cl3 50.84(4) 1_545 1_545 ? Cl2 Pb3 Cl3 76.50(4) 24_556 1_545 ? Cl2 Pb3 Cl3 103.50(4) 12_655 1_545 ? Cl2 Pb3 Cl3 129.16(4) 13_666 1_545 ? Cl2 Pb3 Cl3 52.73(4) 6_556 1_545 ? Cl2 Pb3 Cl3 127.27(4) 18_655 1_545 ? Pb1 Pb3 Cl3 140.99(2) 13_666 1_545 ? Pb1 Pb3 Cl3 39.011(19) 1_545 1_545 ? Cl3 Pb3 Cl3 113.93(3) 18_655 1_545 ? Cl3 Pb3 Cl3 66.07(3) 6_556 1_545 ? Cl3 Pb3 Cl3 113.93(3) 24_556 1_545 ? Cl3 Pb3 Cl3 180.0 13_666 1_545 ? Cl2 Pb3 Cl3 52.73(4) 1_545 12_655 ? Cl2 Pb3 Cl3 129.16(4) 24_556 12_655 ? Cl2 Pb3 Cl3 50.84(4) 12_655 12_655 ? Cl2 Pb3 Cl3 127.27(4) 13_666 12_655 ? Cl2 Pb3 Cl3 103.50(4) 6_556 12_655 ? Cl2 Pb3 Cl3 76.50(4) 18_655 12_655 ? Pb1 Pb3 Cl3 140.989(19) 13_666 12_655 ? Pb1 Pb3 Cl3 39.011(19) 1_545 12_655 ? Cl3 Pb3 Cl3 113.93(3) 18_655 12_655 ? Cl3 Pb3 Cl3 66.07(3) 6_556 12_655 ? Cl3 Pb3 Cl3 180.0 24_556 12_655 ? Cl3 Pb3 Cl3 113.93(3) 13_666 12_655 ? Cl3 Pb3 Cl3 66.07(3) 1_545 12_655 ? Cl2 Pb3 Nb 99.44(3) 1_545 24_556 ? Cl2 Pb3 Nb 22.50(3) 24_556 24_556 ? Cl2 Pb3 Nb 157.50(3) 12_655 24_556 ? Cl2 Pb3 Nb 80.56(3) 13_666 24_556 ? Cl2 Pb3 Nb 68.71(3) 6_556 24_556 ? Cl2 Pb3 Nb 111.29(3) 18_655 24_556 ? Pb1 Pb3 Nb 55.859(6) 13_666 24_556 ? Pb1 Pb3 Nb 124.141(6) 1_545 24_556 ? Cl3 Pb3 Nb 61.537(19) 18_655 24_556 ? Cl3 Pb3 Nb 118.463(19) 6_556 24_556 ? Cl3 Pb3 Nb 30.042(18) 24_556 24_556 ? Cl3 Pb3 Nb 91.95(2) 13_666 24_556 ? Cl3 Pb3 Nb 88.05(2) 1_545 24_556 ? Cl3 Pb3 Nb 149.958(18) 12_655 24_556 ? Cl2 Pb3 Nb 80.56(3) 1_545 12_655 ? Cl2 Pb3 Nb 157.50(3) 24_556 12_655 ? Cl2 Pb3 Nb 22.50(3) 12_655 12_655 ? Cl2 Pb3 Nb 99.44(3) 13_666 12_655 ? Cl2 Pb3 Nb 111.29(3) 6_556 12_655 ? Cl2 Pb3 Nb 68.71(3) 18_655 12_655 ? Pb1 Pb3 Nb 124.141(6) 13_666 12_655 ? Pb1 Pb3 Nb 55.859(6) 1_545 12_655 ? Cl3 Pb3 Nb 118.463(19) 18_655 12_655 ? Cl3 Pb3 Nb 61.537(19) 6_556 12_655 ? Cl3 Pb3 Nb 149.958(18) 24_556 12_655 ? Cl3 Pb3 Nb 88.05(2) 13_666 12_655 ? Cl3 Pb3 Nb 91.95(2) 1_545 12_655 ? Cl3 Pb3 Nb 30.042(18) 12_655 12_655 ? Nb Pb3 Nb 180.0 24_556 12_655 ? Cl2 Pb3 Nb 157.50(3) 1_545 13_666 ? Cl2 Pb3 Nb 111.29(3) 24_556 13_666 ? Cl2 Pb3 Nb 68.71(3) 12_655 13_666 ? Cl2 Pb3 Nb 22.50(3) 13_666 13_666 ? Cl2 Pb3 Nb 99.44(3) 6_556 13_666 ? Cl2 Pb3 Nb 80.56(3) 18_655 13_666 ? Pb1 Pb3 Nb 55.859(6) 13_666 13_666 ? Pb1 Pb3 Nb 124.141(6) 1_545 13_666 ? Cl3 Pb3 Nb 91.95(2) 18_655 13_666 ? Cl3 Pb3 Nb 88.05(2) 6_556 13_666 ? Cl3 Pb3 Nb 61.537(19) 24_556 13_666 ? Cl3 Pb3 Nb 30.042(18) 13_666 13_666 ? Cl3 Pb3 Nb 149.958(18) 1_545 13_666 ? Cl3 Pb3 Nb 118.463(19) 12_655 13_666 ? Nb Pb3 Nb 91.578(8) 24_556 13_666 ? Nb Pb3 Nb 88.422(8) 12_655 13_666 ? Cl2 Pb3 Nb 22.50(3) 1_545 1_545 ? Cl2 Pb3 Nb 68.71(3) 24_556 1_545 ? Cl2 Pb3 Nb 111.29(3) 12_655 1_545 ? Cl2 Pb3 Nb 157.50(3) 13_666 1_545 ? Cl2 Pb3 Nb 80.56(3) 6_556 1_545 ? Cl2 Pb3 Nb 99.44(3) 18_655 1_545 ? Pb1 Pb3 Nb 124.141(6) 13_666 1_545 ? Pb1 Pb3 Nb 55.859(6) 1_545 1_545 ? Cl3 Pb3 Nb 88.05(2) 18_655 1_545 ? Cl3 Pb3 Nb 91.95(2) 6_556 1_545 ? Cl3 Pb3 Nb 118.463(19) 24_556 1_545 ? Cl3 Pb3 Nb 149.958(18) 13_666 1_545 ? Cl3 Pb3 Nb 30.042(18) 1_545 1_545 ? Cl3 Pb3 Nb 61.537(19) 12_655 1_545 ? Nb Pb3 Nb 88.422(8) 24_556 1_545 ? Nb Pb3 Nb 91.578(8) 12_655 1_545 ? Nb Pb3 Nb 180.0 13_666 1_545 ? _diffrn_measured_fraction_theta_max 0.882 _diffrn_reflns_theta_full 27.08 _diffrn_measured_fraction_theta_full 0.882 _refine_diff_density_max 1.881 _refine_diff_density_min -1.316 _refine_diff_density_rms 0.251