data_pdastebi _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'As2 Bi Pd11 Te' _chemical_formula_weight 1656.82 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'As' 'As' 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Pd' 'Pd' -0.9988 1.0072 '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' 'Bi' 'Bi' -4.1077 10.2566 '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+3/4, -y+1/4, z+1/2' '-x+1/4, y+1/2, -z+3/4' 'x+1/2, -y+3/4, -z+1/4' 'z, x, y' 'z+1/2, -x+3/4, -y+1/4' '-z+3/4, -x+1/4, y+1/2' '-z+1/4, x+1/2, -y+3/4' 'y, z, x' '-y+1/4, z+1/2, -x+3/4' 'y+1/2, -z+3/4, -x+1/4' '-y+3/4, -z+1/4, x+1/2' 'y+3/4, x+1/4, -z+1/2' '-y, -x, -z' 'y+1/4, -x+1/2, z+3/4' '-y+1/2, x+3/4, z+1/4' 'x+3/4, z+1/4, -y+1/2' '-x+1/2, z+3/4, y+1/4' '-x, -z, -y' 'x+1/4, -z+1/2, y+3/4' 'z+3/4, y+1/4, -x+1/2' 'z+1/4, -y+1/2, x+3/4' '-z+1/2, y+3/4, x+1/4' '-z, -y, -x' 'x, y+1/2, z+1/2' '-x+3/4, -y+3/4, z+1' '-x+1/4, y+1, -z+5/4' 'x+1/2, -y+5/4, -z+3/4' 'z, x+1/2, y+1/2' 'z+1/2, -x+5/4, -y+3/4' '-z+3/4, -x+3/4, y+1' '-z+1/4, x+1, -y+5/4' 'y, z+1/2, x+1/2' '-y+1/4, z+1, -x+5/4' 'y+1/2, -z+5/4, -x+3/4' '-y+3/4, -z+3/4, x+1' 'y+3/4, x+3/4, -z+1' '-y, -x+1/2, -z+1/2' 'y+1/4, -x+1, z+5/4' '-y+1/2, x+5/4, z+3/4' 'x+3/4, z+3/4, -y+1' '-x+1/2, z+5/4, y+3/4' '-x, -z+1/2, -y+1/2' 'x+1/4, -z+1, y+5/4' 'z+3/4, y+3/4, -x+1' 'z+1/4, -y+1, x+5/4' '-z+1/2, y+5/4, x+3/4' '-z, -y+1/2, -x+1/2' 'x+1/2, y, z+1/2' '-x+5/4, -y+1/4, z+1' '-x+3/4, y+1/2, -z+5/4' 'x+1, -y+3/4, -z+3/4' 'z+1/2, x, y+1/2' 'z+1, -x+3/4, -y+3/4' '-z+5/4, -x+1/4, y+1' '-z+3/4, x+1/2, -y+5/4' 'y+1/2, z, x+1/2' '-y+3/4, z+1/2, -x+5/4' 'y+1, -z+3/4, -x+3/4' '-y+5/4, -z+1/4, x+1' 'y+5/4, x+1/4, -z+1' '-y+1/2, -x, -z+1/2' 'y+3/4, -x+1/2, z+5/4' '-y+1, x+3/4, z+3/4' 'x+5/4, z+1/4, -y+1' '-x+1, z+3/4, y+3/4' '-x+1/2, -z, -y+1/2' 'x+3/4, -z+1/2, y+5/4' 'z+5/4, y+1/4, -x+1' 'z+3/4, -y+1/2, x+5/4' '-z+1, y+3/4, x+3/4' '-z+1/2, -y, -x+1/2' 'x+1/2, y+1/2, z' '-x+5/4, -y+3/4, z+1/2' '-x+3/4, y+1, -z+3/4' 'x+1, -y+5/4, -z+1/4' 'z+1/2, x+1/2, y' 'z+1, -x+5/4, -y+1/4' '-z+5/4, -x+3/4, y+1/2' '-z+3/4, x+1, -y+3/4' 'y+1/2, z+1/2, x' '-y+3/4, z+1, -x+3/4' 'y+1, -z+5/4, -x+1/4' '-y+5/4, -z+3/4, x+1/2' 'y+5/4, x+3/4, -z+1/2' '-y+1/2, -x+1/2, -z' 'y+3/4, -x+1, z+3/4' '-y+1, x+5/4, z+1/4' 'x+5/4, z+3/4, -y+1/2' '-x+1, z+5/4, y+1/4' '-x+1/2, -z+1/2, -y' 'x+3/4, -z+1, y+3/4' 'z+5/4, y+3/4, -x+1/2' 'z+3/4, -y+1, x+3/4' '-z+1, y+5/4, x+1/4' '-z+1/2, -y+1/2, -x' '-x, -y, -z' 'x-3/4, y-1/4, -z-1/2' 'x-1/4, -y-1/2, z-3/4' '-x-1/2, y-3/4, z-1/4' '-z, -x, -y' '-z-1/2, x-3/4, y-1/4' 'z-3/4, x-1/4, -y-1/2' 'z-1/4, -x-1/2, y-3/4' '-y, -z, -x' 'y-1/4, -z-1/2, x-3/4' '-y-1/2, z-3/4, x-1/4' 'y-3/4, z-1/4, -x-1/2' '-y-3/4, -x-1/4, z-1/2' 'y, x, z' '-y-1/4, x-1/2, -z-3/4' 'y-1/2, -x-3/4, -z-1/4' '-x-3/4, -z-1/4, y-1/2' 'x-1/2, -z-3/4, -y-1/4' 'x, z, y' '-x-1/4, z-1/2, -y-3/4' '-z-3/4, -y-1/4, x-1/2' '-z-1/4, y-1/2, -x-3/4' 'z-1/2, -y-3/4, -x-1/4' 'z, y, x' '-x, -y+1/2, -z+1/2' 'x-3/4, y+1/4, -z' 'x-1/4, -y, z-1/4' '-x-1/2, y-1/4, z+1/4' '-z, -x+1/2, -y+1/2' '-z-1/2, x-1/4, y+1/4' 'z-3/4, x+1/4, -y' 'z-1/4, -x, y-1/4' '-y, -z+1/2, -x+1/2' 'y-1/4, -z, x-1/4' '-y-1/2, z-1/4, x+1/4' 'y-3/4, z+1/4, -x' '-y-3/4, -x+1/4, z' 'y, x+1/2, z+1/2' '-y-1/4, x, -z-1/4' 'y-1/2, -x-1/4, -z+1/4' '-x-3/4, -z+1/4, y' 'x-1/2, -z-1/4, -y+1/4' 'x, z+1/2, y+1/2' '-x-1/4, z, -y-1/4' '-z-3/4, -y+1/4, x' '-z-1/4, y, -x-1/4' 'z-1/2, -y-1/4, -x+1/4' 'z, y+1/2, x+1/2' '-x+1/2, -y, -z+1/2' 'x-1/4, y-1/4, -z' 'x+1/4, -y-1/2, z-1/4' '-x, y-3/4, z+1/4' '-z+1/2, -x, -y+1/2' '-z, x-3/4, y+1/4' 'z-1/4, x-1/4, -y' 'z+1/4, -x-1/2, y-1/4' '-y+1/2, -z, -x+1/2' 'y+1/4, -z-1/2, x-1/4' '-y, z-3/4, x+1/4' 'y-1/4, z-1/4, -x' '-y-1/4, -x-1/4, z' 'y+1/2, x, z+1/2' '-y+1/4, x-1/2, -z-1/4' 'y, -x-3/4, -z+1/4' '-x-1/4, -z-1/4, y' 'x, -z-3/4, -y+1/4' 'x+1/2, z, y+1/2' '-x+1/4, z-1/2, -y-1/4' '-z-1/4, -y-1/4, x' '-z+1/4, y-1/2, -x-1/4' 'z, -y-3/4, -x+1/4' 'z+1/2, y, x+1/2' '-x+1/2, -y+1/2, -z' 'x-1/4, y+1/4, -z-1/2' 'x+1/4, -y, z-3/4' '-x, y-1/4, z-1/4' '-z+1/2, -x+1/2, -y' '-z, x-1/4, y-1/4' 'z-1/4, x+1/4, -y-1/2' 'z+1/4, -x, y-3/4' '-y+1/2, -z+1/2, -x' 'y+1/4, -z, x-3/4' '-y, z-1/4, x-1/4' 'y-1/4, z+1/4, -x-1/2' '-y-1/4, -x+1/4, z-1/2' 'y+1/2, x+1/2, z' '-y+1/4, x, -z-3/4' 'y, -x-1/4, -z-1/4' '-x-1/4, -z+1/4, y-1/2' 'x, -z-1/4, -y-1/4' 'x+1/2, z+1/2, y' '-x+1/4, z, -y-3/4' '-z-1/4, -y+1/4, x-1/2' '-z+1/4, y, -x-3/4' 'z, -y-1/4, -x-1/4' 'z+1/2, y+1/2, x' _cell_length_a 12.3701(13) _cell_length_b 12.3701(13) _cell_length_c 12.3701(13) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 1892.9(3) _cell_formula_units_Z 8 _cell_measurement_temperature 296(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 11.628 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 5656 _exptl_absorpt_coefficient_mu 48.756 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 296(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 1264 _diffrn_reflns_av_R_equivalents 0.0300 _diffrn_reflns_av_sigmaI/netI 0.0244 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 2 _diffrn_reflns_limit_l_min -8 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 2.85 _diffrn_reflns_theta_max 36.66 _reflns_number_total 256 _reflns_number_gt 238 _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^)+(0.0134P)^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 0.000032(7) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 256 _refine_ls_number_parameters 15 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0211 _refine_ls_R_factor_gt 0.0183 _refine_ls_wR_factor_ref 0.0345 _refine_ls_wR_factor_gt 0.0335 _refine_ls_goodness_of_fit_ref 1.082 _refine_ls_restrained_S_all 1.082 _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 Te1 Te 0.0000 0.0000 0.0000 0.00814(15) Uani 0.668(5) 12 d SP . . Bi1 Bi 0.0000 0.0000 0.0000 0.00814(15) Uani 0.332(5) 12 d SP . . Pd1 Pd -0.3750 0.1250 0.1250 0.00921(18) Uani 1 24 d S . . Pd3 Pd 0.03475(3) 0.21525(3) 0.03475(3) 0.01317(13) Uani 1 6 d S . . As1 As -0.5000 0.0000 0.0000 0.00926(19) Uani 1 12 d S . . Pd2 Pd -0.15571(4) 0.1250 0.1250 0.01128(11) Uani 1 4 d S . . 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 Te1 0.00814(15) 0.00814(15) 0.00814(15) -0.00040(9) -0.00040(9) -0.00040(9) Bi1 0.00814(15) 0.00814(15) 0.00814(15) -0.00040(9) -0.00040(9) -0.00040(9) Pd1 0.00921(18) 0.00921(18) 0.00921(18) 0.000 0.000 0.000 Pd3 0.01317(13) 0.01317(13) 0.01317(13) -0.00254(12) 0.00254(12) -0.00254(12) As1 0.00926(19) 0.00926(19) 0.00926(19) 0.0007(2) 0.0007(2) 0.0007(2) Pd2 0.00864(18) 0.01260(14) 0.01260(14) 0.00209(15) 0.000 0.000 _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 Te1 Pd3 2.7312(4) . ? Te1 Pd3 2.7312(4) 172 ? Te1 Pd3 2.7312(4) 76_445 ? Te1 Pd3 2.7312(4) 97 ? Te1 Pd3 2.7312(4) 50_454 ? Te1 Pd3 2.7312(4) 146 ? Te1 Pd2 2.9141(4) . ? Te1 Pd2 2.9141(4) 105 ? Te1 Pd2 2.9141(4) 97 ? Te1 Pd2 2.9141(4) 5 ? Te1 Pd2 2.9141(4) 101 ? Te1 Pd2 2.9141(4) 9 ? Pd1 As1 2.6782(3) . ? Pd1 As1 2.6782(3) 76_445 ? Pd1 As1 2.6782(3) 27_444 ? Pd1 As1 2.6782(3) 50_354 ? Pd1 Pd2 2.7127(5) 82_444 ? Pd1 Pd2 2.7127(5) 57_455 ? Pd1 Pd2 2.7127(5) 50_354 ? Pd1 Pd2 2.7127(5) 77_455 ? Pd1 Pd2 2.7127(5) 6_445 ? Pd1 Pd2 2.7127(5) . ? Pd3 Bi1 2.7312(4) 76_445 ? Pd3 Bi1 2.7312(4) 50_454 ? Pd3 Te1 2.7312(4) 50_454 ? Pd3 Te1 2.7312(4) 76_445 ? Pd3 Pd2 2.8361(5) . ? Pd3 Pd2 2.8361(5) 78_445 ? Pd3 Pd2 2.8361(5) 9 ? Pd3 Pd2 2.8900(5) 101 ? Pd3 Pd2 2.8900(5) 106_566 ? Pd3 Pd2 2.8900(5) 122_655 ? As1 Pd2 2.4784(3) 178_456 ? As1 Pd2 2.4784(3) 82_444 ? As1 Pd2 2.4784(3) 102_565 ? As1 Pd2 2.4784(3) 50_354 ? As1 Pd2 2.4784(3) 146 ? As1 Pd2 2.4784(3) 6_445 ? As1 Pd1 2.6782(3) 97_455 ? Pd2 As1 2.4784(3) 27_444 ? Pd2 As1 2.4784(3) 50_354 ? Pd2 Pd3 2.8361(5) 76_445 ? Pd2 Pd3 2.8900(5) 146 ? Pd2 Pd3 2.8900(5) 99_566 ? Pd2 Te1 2.9141(4) 76_445 ? Pd2 Bi1 2.9141(4) 76_445 ? Pd2 Pd2 3.1388(4) 106_566 ? 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 Pd3 Te1 Pd3 109.366(19) . 172 ? Pd3 Te1 Pd3 70.634(19) . 76_445 ? Pd3 Te1 Pd3 180.00(3) 172 76_445 ? Pd3 Te1 Pd3 180.0 . 97 ? Pd3 Te1 Pd3 70.635(19) 172 97 ? Pd3 Te1 Pd3 109.365(19) 76_445 97 ? Pd3 Te1 Pd3 70.634(19) . 50_454 ? Pd3 Te1 Pd3 109.365(19) 172 50_454 ? Pd3 Te1 Pd3 70.635(19) 76_445 50_454 ? Pd3 Te1 Pd3 109.365(19) 97 50_454 ? Pd3 Te1 Pd3 109.366(19) . 146 ? Pd3 Te1 Pd3 70.635(19) 172 146 ? Pd3 Te1 Pd3 109.365(19) 76_445 146 ? Pd3 Te1 Pd3 70.635(19) 97 146 ? Pd3 Te1 Pd3 180.0 50_454 146 ? Pd3 Te1 Pd2 60.211(6) . . ? Pd3 Te1 Pd2 119.789(6) 172 . ? Pd3 Te1 Pd2 60.211(6) 76_445 . ? Pd3 Te1 Pd2 119.789(6) 97 . ? Pd3 Te1 Pd2 118.516(13) 50_454 . ? Pd3 Te1 Pd2 61.484(13) 146 . ? Pd3 Te1 Pd2 119.788(6) . 105 ? Pd3 Te1 Pd2 118.516(13) 172 105 ? Pd3 Te1 Pd2 61.484(13) 76_445 105 ? Pd3 Te1 Pd2 60.211(6) 97 105 ? Pd3 Te1 Pd2 119.789(6) 50_454 105 ? Pd3 Te1 Pd2 60.211(6) 146 105 ? Pd2 Te1 Pd2 65.172(5) . 105 ? Pd3 Te1 Pd2 119.788(6) . 97 ? Pd3 Te1 Pd2 60.211(6) 172 97 ? Pd3 Te1 Pd2 119.789(6) 76_445 97 ? Pd3 Te1 Pd2 60.211(6) 97 97 ? Pd3 Te1 Pd2 61.484(13) 50_454 97 ? Pd3 Te1 Pd2 118.516(13) 146 97 ? Pd2 Te1 Pd2 180.0 . 97 ? Pd2 Te1 Pd2 114.828(5) 105 97 ? Pd3 Te1 Pd2 118.515(13) . 5 ? Pd3 Te1 Pd2 119.789(6) 172 5 ? Pd3 Te1 Pd2 60.211(6) 76_445 5 ? Pd3 Te1 Pd2 61.484(13) 97 5 ? Pd3 Te1 Pd2 60.211(6) 50_454 5 ? Pd3 Te1 Pd2 119.789(6) 146 5 ? Pd2 Te1 Pd2 114.828(5) . 5 ? Pd2 Te1 Pd2 65.172(5) 105 5 ? Pd2 Te1 Pd2 65.172(5) 97 5 ? Pd3 Te1 Pd2 61.485(13) . 101 ? Pd3 Te1 Pd2 60.211(6) 172 101 ? Pd3 Te1 Pd2 119.789(6) 76_445 101 ? Pd3 Te1 Pd2 118.516(13) 97 101 ? Pd3 Te1 Pd2 119.789(6) 50_454 101 ? Pd3 Te1 Pd2 60.211(6) 146 101 ? Pd2 Te1 Pd2 65.172(5) . 101 ? Pd2 Te1 Pd2 114.828(5) 105 101 ? Pd2 Te1 Pd2 114.828(5) 97 101 ? Pd2 Te1 Pd2 180.000(13) 5 101 ? Pd3 Te1 Pd2 60.212(6) . 9 ? Pd3 Te1 Pd2 61.484(13) 172 9 ? Pd3 Te1 Pd2 118.516(13) 76_445 9 ? Pd3 Te1 Pd2 119.789(6) 97 9 ? Pd3 Te1 Pd2 60.211(6) 50_454 9 ? Pd3 Te1 Pd2 119.789(6) 146 9 ? Pd2 Te1 Pd2 114.828(5) . 9 ? Pd2 Te1 Pd2 180.0 105 9 ? Pd2 Te1 Pd2 65.172(5) 97 9 ? Pd2 Te1 Pd2 114.828(5) 5 9 ? Pd2 Te1 Pd2 65.172(5) 101 9 ? As1 Pd1 As1 109.5 . 76_445 ? As1 Pd1 As1 109.5 . 27_444 ? As1 Pd1 As1 109.5 76_445 27_444 ? As1 Pd1 As1 109.5 . 50_354 ? As1 Pd1 As1 109.5 76_445 50_354 ? As1 Pd1 As1 109.471(1) 27_444 50_354 ? As1 Pd1 Pd2 54.7 . 82_444 ? As1 Pd1 Pd2 125.3 76_445 82_444 ? As1 Pd1 Pd2 125.3 27_444 82_444 ? As1 Pd1 Pd2 54.7 50_354 82_444 ? As1 Pd1 Pd2 125.3 . 57_455 ? As1 Pd1 Pd2 54.7 76_445 57_455 ? As1 Pd1 Pd2 54.7 27_444 57_455 ? As1 Pd1 Pd2 125.3 50_354 57_455 ? Pd2 Pd1 Pd2 180.0 82_444 57_455 ? As1 Pd1 Pd2 54.7 . 50_354 ? As1 Pd1 Pd2 54.7 76_445 50_354 ? As1 Pd1 Pd2 125.3 27_444 50_354 ? As1 Pd1 Pd2 125.3 50_354 50_354 ? Pd2 Pd1 Pd2 90.0 82_444 50_354 ? Pd2 Pd1 Pd2 90.0 57_455 50_354 ? As1 Pd1 Pd2 125.3 . 77_455 ? As1 Pd1 Pd2 54.7 76_445 77_455 ? As1 Pd1 Pd2 125.3 27_444 77_455 ? As1 Pd1 Pd2 54.7 50_354 77_455 ? Pd2 Pd1 Pd2 90.0 82_444 77_455 ? Pd2 Pd1 Pd2 90.0 57_455 77_455 ? Pd2 Pd1 Pd2 90.0 50_354 77_455 ? As1 Pd1 Pd2 54.7 . 6_445 ? As1 Pd1 Pd2 125.3 76_445 6_445 ? As1 Pd1 Pd2 54.7 27_444 6_445 ? As1 Pd1 Pd2 125.3 50_354 6_445 ? Pd2 Pd1 Pd2 90.0 82_444 6_445 ? Pd2 Pd1 Pd2 90.0 57_455 6_445 ? Pd2 Pd1 Pd2 90.0 50_354 6_445 ? Pd2 Pd1 Pd2 180.0 77_455 6_445 ? As1 Pd1 Pd2 125.3 . . ? As1 Pd1 Pd2 125.3 76_445 . ? As1 Pd1 Pd2 54.7 27_444 . ? As1 Pd1 Pd2 54.7 50_354 . ? Pd2 Pd1 Pd2 90.0 82_444 . ? Pd2 Pd1 Pd2 90.0 57_455 . ? Pd2 Pd1 Pd2 180.0 50_354 . ? Pd2 Pd1 Pd2 90.0 77_455 . ? Pd2 Pd1 Pd2 90.0 6_445 . ? Te1 Pd3 Bi1 106.384(13) . 76_445 ? Te1 Pd3 Bi1 106.384(13) . 50_454 ? Bi1 Pd3 Bi1 106.384(13) 76_445 50_454 ? Te1 Pd3 Te1 106.384(13) . 50_454 ? Bi1 Pd3 Te1 106.384(13) 76_445 50_454 ? Bi1 Pd3 Te1 0.0 50_454 50_454 ? Te1 Pd3 Te1 106.384(13) . 76_445 ? Bi1 Pd3 Te1 0.0 76_445 76_445 ? Bi1 Pd3 Te1 106.384(13) 50_454 76_445 ? Te1 Pd3 Te1 106.384(13) 50_454 76_445 ? Te1 Pd3 Pd2 63.092(3) . . ? Bi1 Pd3 Pd2 63.092(3) 76_445 . ? Bi1 Pd3 Pd2 159.03(2) 50_454 . ? Te1 Pd3 Pd2 159.03(2) 50_454 . ? Te1 Pd3 Pd2 63.092(3) 76_445 . ? Te1 Pd3 Pd2 159.03(2) . 78_445 ? Bi1 Pd3 Pd2 63.092(3) 76_445 78_445 ? Bi1 Pd3 Pd2 63.092(3) 50_454 78_445 ? Te1 Pd3 Pd2 63.092(3) 50_454 78_445 ? Te1 Pd3 Pd2 63.092(3) 76_445 78_445 ? Pd2 Pd3 Pd2 119.938(1) . 78_445 ? Te1 Pd3 Pd2 63.092(3) . 9 ? Bi1 Pd3 Pd2 159.03(2) 76_445 9 ? Bi1 Pd3 Pd2 63.092(3) 50_454 9 ? Te1 Pd3 Pd2 63.092(3) 50_454 9 ? Te1 Pd3 Pd2 159.03(2) 76_445 9 ? Pd2 Pd3 Pd2 119.938(2) . 9 ? Pd2 Pd3 Pd2 119.938(1) 78_445 9 ? Te1 Pd3 Pd2 62.375(9) . 101 ? Bi1 Pd3 Pd2 126.806(7) 76_445 101 ? Bi1 Pd3 Pd2 126.806(7) 50_454 101 ? Te1 Pd3 Pd2 126.806(7) 50_454 101 ? Te1 Pd3 Pd2 126.806(7) 76_445 101 ? Pd2 Pd3 Pd2 66.474(5) . 101 ? Pd2 Pd3 Pd2 138.60(3) 78_445 101 ? Pd2 Pd3 Pd2 66.474(5) 9 101 ? Te1 Pd3 Pd2 126.806(7) . 106_566 ? Bi1 Pd3 Pd2 62.375(9) 76_445 106_566 ? Bi1 Pd3 Pd2 126.806(7) 50_454 106_566 ? Te1 Pd3 Pd2 126.806(7) 50_454 106_566 ? Te1 Pd3 Pd2 62.375(9) 76_445 106_566 ? Pd2 Pd3 Pd2 66.474(6) . 106_566 ? Pd2 Pd3 Pd2 66.474(5) 78_445 106_566 ? Pd2 Pd3 Pd2 138.60(3) 9 106_566 ? Pd2 Pd3 Pd2 83.167(19) 101 106_566 ? Te1 Pd3 Pd2 126.806(7) . 122_655 ? Bi1 Pd3 Pd2 126.806(7) 76_445 122_655 ? Bi1 Pd3 Pd2 62.375(9) 50_454 122_655 ? Te1 Pd3 Pd2 62.375(9) 50_454 122_655 ? Te1 Pd3 Pd2 126.806(7) 76_445 122_655 ? Pd2 Pd3 Pd2 138.60(3) . 122_655 ? Pd2 Pd3 Pd2 66.474(5) 78_445 122_655 ? Pd2 Pd3 Pd2 66.474(5) 9 122_655 ? Pd2 Pd3 Pd2 83.167(19) 101 122_655 ? Pd2 Pd3 Pd2 83.167(19) 106_566 122_655 ? Pd2 As1 Pd2 180.000(18) 178_456 82_444 ? Pd2 As1 Pd2 101.420(11) 178_456 102_565 ? Pd2 As1 Pd2 78.580(11) 82_444 102_565 ? Pd2 As1 Pd2 78.580(11) 178_456 50_354 ? Pd2 As1 Pd2 101.420(11) 82_444 50_354 ? Pd2 As1 Pd2 78.580(11) 102_565 50_354 ? Pd2 As1 Pd2 101.420(11) 178_456 146 ? Pd2 As1 Pd2 78.580(11) 82_444 146 ? Pd2 As1 Pd2 101.420(11) 102_565 146 ? Pd2 As1 Pd2 180.000(18) 50_354 146 ? Pd2 As1 Pd2 78.580(11) 178_456 6_445 ? Pd2 As1 Pd2 101.420(11) 82_444 6_445 ? Pd2 As1 Pd2 180.000(18) 102_565 6_445 ? Pd2 As1 Pd2 101.420(11) 50_354 6_445 ? Pd2 As1 Pd2 78.580(11) 146 6_445 ? Pd2 As1 Pd1 116.660(9) 178_456 . ? Pd2 As1 Pd1 63.340(9) 82_444 . ? Pd2 As1 Pd1 116.660(9) 102_565 . ? Pd2 As1 Pd1 63.340(9) 50_354 . ? Pd2 As1 Pd1 116.660(9) 146 . ? Pd2 As1 Pd1 63.340(9) 6_445 . ? Pd2 As1 Pd1 63.340(9) 178_456 97_455 ? Pd2 As1 Pd1 116.660(9) 82_444 97_455 ? Pd2 As1 Pd1 63.340(9) 102_565 97_455 ? Pd2 As1 Pd1 116.660(9) 50_354 97_455 ? Pd2 As1 Pd1 63.340(9) 146 97_455 ? Pd2 As1 Pd1 116.660(9) 6_445 97_455 ? Pd1 As1 Pd1 180.0 . 97_455 ? As1 Pd2 As1 123.849(18) 27_444 50_354 ? As1 Pd2 Pd1 61.924(9) 27_444 . ? As1 Pd2 Pd1 61.924(9) 50_354 . ? As1 Pd2 Pd3 84.245(13) 27_444 76_445 ? As1 Pd2 Pd3 151.906(19) 50_354 76_445 ? Pd1 Pd2 Pd3 146.170(14) . 76_445 ? As1 Pd2 Pd3 151.905(19) 27_444 . ? As1 Pd2 Pd3 84.246(13) 50_354 . ? Pd1 Pd2 Pd3 146.170(14) . . ? Pd3 Pd2 Pd3 67.66(3) 76_445 . ? As1 Pd2 Pd3 83.110(8) 27_444 146 ? As1 Pd2 Pd3 83.110(7) 50_354 146 ? Pd1 Pd2 Pd3 75.233(13) . 146 ? Pd3 Pd2 Pd3 102.224(9) 76_445 146 ? Pd3 Pd2 Pd3 102.224(9) . 146 ? As1 Pd2 Pd3 83.110(7) 27_444 99_566 ? As1 Pd2 Pd3 83.110(7) 50_354 99_566 ? Pd1 Pd2 Pd3 75.233(13) . 99_566 ? Pd3 Pd2 Pd3 102.224(9) 76_445 99_566 ? Pd3 Pd2 Pd3 102.224(9) . 99_566 ? Pd3 Pd2 Pd3 150.47(3) 146 99_566 ? As1 Pd2 Te1 108.124(3) 27_444 76_445 ? As1 Pd2 Te1 108.124(3) 50_354 76_445 ? Pd1 Pd2 Te1 131.374(7) . 76_445 ? Pd3 Pd2 Te1 56.697(9) 76_445 76_445 ? Pd3 Pd2 Te1 56.697(9) . 76_445 ? Pd3 Pd2 Te1 153.393(18) 146 76_445 ? Pd3 Pd2 Te1 56.141(10) 99_566 76_445 ? As1 Pd2 Bi1 108.124(3) 27_444 76_445 ? As1 Pd2 Bi1 108.124(3) 50_354 76_445 ? Pd1 Pd2 Bi1 131.374(7) . 76_445 ? Pd3 Pd2 Bi1 56.697(9) 76_445 76_445 ? Pd3 Pd2 Bi1 56.697(9) . 76_445 ? Pd3 Pd2 Bi1 153.393(18) 146 76_445 ? Pd3 Pd2 Bi1 56.141(10) 99_566 76_445 ? Te1 Pd2 Bi1 0.0 76_445 76_445 ? As1 Pd2 Te1 108.124(3) 27_444 . ? As1 Pd2 Te1 108.124(3) 50_354 . ? Pd1 Pd2 Te1 131.374(7) . . ? Pd3 Pd2 Te1 56.698(9) 76_445 . ? Pd3 Pd2 Te1 56.697(9) . . ? Pd3 Pd2 Te1 56.141(10) 146 . ? Pd3 Pd2 Te1 153.393(18) 99_566 . ? Te1 Pd2 Te1 97.252(13) 76_445 . ? Bi1 Pd2 Te1 97.252(13) 76_445 . ? As1 Pd2 Pd2 138.344(15) 27_444 106_566 ? As1 Pd2 Pd2 50.710(6) 50_354 106_566 ? Pd1 Pd2 Pd2 96.951(8) . 106_566 ? Pd3 Pd2 Pd2 109.572(13) 76_445 106_566 ? Pd3 Pd2 Pd2 57.587(11) . 106_566 ? Pd3 Pd2 Pd2 128.445(6) 146 106_566 ? Pd3 Pd2 Pd2 55.939(8) 99_566 106_566 ? Te1 Pd2 Pd2 57.414(2) 76_445 106_566 ? Bi1 Pd2 Pd2 57.414(2) 76_445 106_566 ? Te1 Pd2 Pd2 112.246(15) . 106_566 ? _diffrn_measured_fraction_theta_max 0.970 _diffrn_reflns_theta_full 36.66 _diffrn_measured_fraction_theta_full 0.970 _refine_diff_density_max 1.478 _refine_diff_density_min -1.420 _refine_diff_density_rms 0.240