# Supplementary Material (ESI) for Journal of Material Chemistry # This journal is © The Royal Society of Chemistry, 1999 # CCDC Number: 1145/169 data_global #----------------------------------------------------------------------- _publ_requested_journal 'J. Mater. Chem.' _publ_contact_author ; Dr. Holger Kleinke FB Chemie Philipps-Universitaet Marburg D-35032 Marburg ; _publ_contact_author_phone 06421/28-5751 _publ_contact_author_fax 06421/28-8917 _publ_contact_author_email kleinke@mailer.uni-marburg.de _publ_author_name ; H. Kleinke ; _publ_author_address ; Fachbereich Chemie Philipps-Universitaet Marburg D-35032 Marburg GERMANY ; _publ_section_title ; Metal-Rich Polyantimonides: internal competition between MM and SbSb and heteroatomic MSb interactions in M13Sb10 and M11Sb8 (M = Zr, V) ; #----------------------------------------------------------------------- data_Zr7.46(5)V3.54(5)Sb8 _audit_creation_method SHELXL _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'Sb8 V3.54 Zr7.46' _chemical_formula_weight 1834.83 _chemical_melting_point ? _chemical_compound_source ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'V' 'V' 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Zr' 'Zr' -2.9673 0.5597 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Sb' 'Sb' -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting 1 _symmetry_space_group_name_H-M 'P N M A' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z' 'x+1/2, -y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, y, -z-1/2' 'x, -y-1/2, z' '-x-1/2, y-1/2, z-1/2' _cell_length_a 15.147(1) _cell_length_b 5.7077(5) _cell_length_c 18.111(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 1565.8(2) _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 needle-like _exptl_crystal_colour metallic _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 7.783 _exptl_crystal_density_method ? _exptl_crystal_F_000 3151 _exptl_absorpt_coefficient_mu 20.226 _exptl_absorpt_correction_type numerical _exptl_absorpt_correction_T_min 0.16 _exptl_absorpt_correction_T_max 0.68 _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 ? _diffrn_measurement_method ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 13193 _diffrn_reflns_av_R_equivalents 0.0707 _diffrn_reflns_av_sigmaI/netI 0.0671 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -7 _diffrn_reflns_limit_k_max 7 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_theta_min 2.25 _diffrn_reflns_theta_max 27.94 _reflns_number_total 2063 _reflns_number_observed 1322 _reflns_observed_criterion >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses 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 observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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^)+(0.0300P)^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 ? _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00000(2) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 2063 _refine_ls_number_parameters 109 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0555 _refine_ls_R_factor_obs 0.0314 _refine_ls_wR_factor_all 0.0677 _refine_ls_wR_factor_obs 0.0651 _refine_ls_goodness_of_fit_all 0.843 _refine_ls_goodness_of_fit_obs 1.026 _refine_ls_restrained_S_all 0.843 _refine_ls_restrained_S_obs 1.026 _refine_ls_shift/esd_max -5.875 _refine_ls_shift/esd_mean 0.054 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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Sb1 Sb 0.29051(7) 0.2500 0.30084(6) 0.0083(2) Uani 1 d S . Sb2 Sb 0.44222(7) 0.2500 0.51715(6) 0.0083(2) Uani 1 d S . Sb3 Sb 0.08744(7) 0.2500 0.20080(6) 0.0080(2) Uani 1 d S . Sb4 Sb 0.22917(7) 0.2500 0.90573(6) 0.0091(2) Uani 1 d S . Sb5 Sb 0.00885(8) 0.2500 0.73111(8) 0.0208(3) Uani 1 d S . Sb6 Sb 0.05787(8) 0.2500 0.43451(6) 0.0161(3) Uani 1 d S . Sb7 Sb 0.28928(5) 0.0023(2) 0.10699(4) 0.0154(2) Uani 1 d . . Zr1 Zr 0.43447(11) 0.2500 0.19290(8) 0.0092(3) Uani 1 d S . Zr2 Zr 0.12833(10) 0.2500 0.04275(8) 0.0074(3) Uani 1 d S . Zr3 Zr 0.19508(11) 0.2500 0.74861(9) 0.0102(3) Uani 1 d S . Zr4 Zr 0.36576(11) 0.2500 0.66247(9) 0.0108(3) Uani 1 d S . Zr5 Zr 0.25261(10) 0.2500 0.46573(9) 0.0091(3) Uani 1 d S . V1 V 0.0481(2) 0.2500 0.5888(2) 0.0273(8) Uani 1 d S . V2 V 0.36141(11) 0.0182(3) 0.82379(9) 0.0074(4) Uani 1 d . . M1 Zr 0.38855(14) 0.2500 0.99062(11) 0.0232(8) Uani 0.87(3) d SP . VR6 V 0.38855(14) 0.2500 0.99062(11) 0.0232(8) Uani 0.13(3) d SP . M2 V 0.06014(7) 0.0018(2) 0.87519(6) 0.0086(4) Uani 0.205(15) d P . Z2 Zr 0.06014(7) 0.0018(2) 0.87519(6) 0.0086(4) Uani 0.795(15) d P . 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 Sb1 0.0070(5) 0.0091(5) 0.0087(5) 0.000 -0.0001(4) 0.000 Sb2 0.0070(4) 0.0090(5) 0.0090(5) 0.000 -0.0002(4) 0.000 Sb3 0.0087(5) 0.0076(5) 0.0077(5) 0.000 0.0007(4) 0.000 Sb4 0.0100(5) 0.0094(5) 0.0078(5) 0.000 0.0017(4) 0.000 Sb5 0.0090(6) 0.0087(6) 0.0448(8) 0.000 0.0016(5) 0.000 Sb6 0.0114(5) 0.0258(7) 0.0113(5) 0.000 0.0019(5) 0.000 Sb7 0.0165(4) 0.0132(4) 0.0167(4) 0.0005(3) -0.0056(3) -0.0016(3) Zr1 0.0068(7) 0.0113(7) 0.0094(7) 0.000 -0.0011(6) 0.000 Zr2 0.0074(7) 0.0085(7) 0.0065(7) 0.000 0.0001(6) 0.000 Zr3 0.0121(7) 0.0095(7) 0.0090(7) 0.000 0.0007(6) 0.000 Zr4 0.0102(8) 0.0099(8) 0.0124(8) 0.000 0.0015(6) 0.000 Zr5 0.0089(7) 0.0083(7) 0.0101(7) 0.000 0.0000(6) 0.000 V1 0.025(2) 0.043(2) 0.0134(15) 0.000 0.0002(14) 0.000 V2 0.0059(8) 0.0085(9) 0.0078(7) -0.0018(8) 0.0013(6) -0.0014(7) M1 0.0212(12) 0.0242(12) 0.0240(13) 0.000 -0.0151(8) 0.000 VR6 0.0212(12) 0.0242(12) 0.0240(13) 0.000 -0.0151(8) 0.000 Z2 0.0081(6) 0.0088(6) 0.0088(6) -0.0009(5) 0.0018(4) -0.0001(5) M2 0.0081(6) 0.0088(6) 0.0088(6) -0.0009(5) 0.0018(4) -0.0001(5) _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 Sb1 V2 2.795(2) 8_665 ? Sb1 V2 2.795(2) 2_554 ? Sb1 Zr1 2.929(2) . ? Sb1 M2 2.9994(14) 8_665 ? Sb1 Z2 2.9994(14) 8_665 ? Sb1 M2 2.9994(14) 2_554 ? Sb1 Z2 2.9994(14) 2_554 ? Sb1 Zr3 3.0145(7) 2_554 ? Sb1 Zr3 3.0145(7) 2_564 ? Sb1 Zr5 3.041(2) . ? Sb2 Zr4 2.875(2) . ? Sb2 M2 2.9457(14) 2_554 ? Sb2 Z2 2.9457(14) 2_554 ? Sb2 M2 2.9457(14) 8_665 ? Sb2 Z2 2.9457(14) 8_665 ? Sb2 M2 2.9997(14) 6_657 ? Sb2 Z2 2.9997(14) 6_657 ? Sb2 M2 2.9997(14) 4_556 ? Sb2 Z2 2.9997(14) 4_556 ? Sb2 Zr5 3.019(2) . ? Sb2 Zr2 3.020(2) 6_656 ? Sb2 Zr2 3.0824(7) 2 ? Sb3 V2 2.812(2) 8_665 ? Sb3 V2 2.812(2) 2_554 ? Sb3 Zr2 2.929(2) . ? Sb3 M2 2.9928(15) 5_556 ? Sb3 Z2 2.9928(15) 5_556 ? Sb3 M2 2.9928(15) 3_556 ? Sb3 Z2 2.9928(15) 3_556 ? Sb3 Zr1 3.012(2) 6_556 ? Sb3 Zr4 3.0215(7) 2_554 ? Sb3 Zr4 3.0215(7) 2_564 ? Sb4 V2 2.822(2) 7_565 ? Sb4 V2 2.822(2) . ? Sb4 VR6 2.862(2) . ? Sb4 M1 2.862(2) . ? Sb4 Zr3 2.892(2) . ? Sb4 Zr2 2.914(2) 1_556 ? Sb4 M2 2.9779(14) 7_565 ? Sb4 M2 2.9779(15) . ? Sb4 Z2 2.9779(15) . ? Sb4 Z2 2.9779(14) 7_565 ? Sb4 Zr5 3.0662(8) 2_565 ? Sb4 Zr5 3.0662(7) 2 ? Sb5 V1 2.645(4) . ? Sb5 V2 2.780(2) 6_557 ? Sb5 V2 2.780(2) 4_456 ? Sb5 Zr3 2.839(2) . ? Sb5 Zr4 2.900(2) 6_557 ? Sb5 Zr1 3.0595(7) 2_565 ? Sb5 Zr1 3.0595(7) 2 ? Sb5 M2 3.069(2) 7_565 ? Sb5 Z2 3.069(2) 7_565 ? Sb5 M2 3.069(2) . ? Sb5 Z2 3.069(2) . ? Sb6 V1 2.798(3) . ? Sb6 V2 2.803(2) 2_554 ? Sb6 V2 2.803(2) 8_665 ? Sb6 VR6 2.901(2) 6_557 ? Sb6 M1 2.901(2) 6_557 ? Sb6 Zr1 2.970(2) 6_556 ? Sb6 Zr5 3.003(2) . ? Sb6 VR6 3.1362(11) 2_564 ? Sb6 M1 3.1362(11) 2_564 ? Sb6 M1 3.1362(11) 2_554 ? Sb6 VR6 3.1362(11) 2_554 ? Sb7 Sb7 2.828(2) 7_565 ? Sb7 V1 2.872(3) 2_554 ? Sb7 Sb7 2.880(2) 7 ? Sb7 Zr4 2.932(2) 2_554 ? Sb7 VR6 2.950(2) 1_554 ? Sb7 M1 2.950(2) 1_554 ? Sb7 Zr3 2.951(2) 2_554 ? Sb7 Zr5 3.003(2) 2_554 ? Sb7 Zr1 3.042(2) . ? Sb7 Zr2 3.049(2) . ? Zr1 Sb6 2.970(2) 6_656 ? Zr1 Sb3 3.012(2) 6_656 ? Zr1 Sb7 3.042(2) 7_565 ? Zr1 Sb5 3.0595(8) 2_564 ? Zr1 Sb5 3.0595(7) 2_554 ? Zr1 Z2 3.602(2) 8_665 ? Zr1 Z2 3.602(2) 2_554 ? Zr1 Zr3 3.6073(14) 2_554 ? Zr1 Zr3 3.6073(14) 2_564 ? Zr2 Sb4 2.914(2) 1_554 ? Zr2 Sb2 3.020(2) 6_556 ? Zr2 Sb7 3.049(2) 7_565 ? Zr2 Sb2 3.0824(7) 2_554 ? Zr2 Sb2 3.0824(7) 2_564 ? Zr2 Z2 3.505(2) 1_554 ? Zr2 Z2 3.505(2) 7_564 ? Zr2 Z2 3.525(2) 5_556 ? Zr2 Z2 3.525(2) 3_556 ? Zr2 Zr4 3.5852(13) 2_564 ? Zr3 Sb7 2.951(2) 2 ? Zr3 Sb7 2.951(2) 8_666 ? Zr3 Sb1 3.0145(7) 2_565 ? Zr3 Sb1 3.0145(7) 2 ? Zr3 Zr4 3.020(2) . ? Zr3 V2 3.155(2) 7_565 ? Zr3 V2 3.155(2) . ? Zr3 M2 3.382(2) 7_565 ? Zr3 Z2 3.382(2) 7_565 ? Zr3 Z2 3.382(2) . ? Zr4 Sb5 2.900(2) 6_657 ? Zr4 Sb7 2.932(2) 2 ? Zr4 Sb7 2.932(2) 8_666 ? Zr4 Sb3 3.0215(7) 2_565 ? Zr4 Sb3 3.0215(7) 2 ? Zr4 V2 3.208(2) 7_565 ? Zr4 V2 3.208(2) . ? Zr4 M2 3.338(2) 4_556 ? Zr4 Z2 3.338(2) 4_556 ? Zr4 M2 3.338(2) 6_657 ? Zr5 Sb7 3.003(2) 8_666 ? Zr5 Sb7 3.003(2) 2 ? Zr5 Sb4 3.0662(8) 2_554 ? Zr5 Sb4 3.0662(7) 2_564 ? Zr5 Z2 3.578(2) 8_665 ? Zr5 Z2 3.578(2) 2_554 ? Zr5 M1 3.594(2) 2_554 ? Zr5 M1 3.594(2) 2_564 ? Zr5 Zr2 3.6527(14) 2_565 ? M1 V1 2.812(4) 6_657 ? M1 Sb6 2.901(2) 6_657 ? M1 Sb7 2.950(2) 7_566 ? M1 Sb7 2.950(2) 1_556 ? M1 Sb6 3.1362(11) 2 ? M1 Sb6 3.1362(11) 2_565 ? M1 V2 3.324(3) . ? M1 V2 3.324(3) 7_565 ? M1 Zr5 3.594(2) 2 ? M1 Zr5 3.594(2) 2_565 ? V1 VR6 2.812(4) 6_557 ? V1 M1 2.812(4) 6_557 ? V1 Sb7 2.872(3) 8_666 ? V1 Sb7 2.872(3) 2 ? Z2 M2 2.833(3) 7_565 ? Z2 Z2 2.833(3) 7_565 ? Z2 M2 2.875(3) 7 ? Z2 Z2 2.875(3) 7 ? Z2 Sb2 2.9457(14) 2 ? Z2 Sb3 2.9928(15) 5_556 ? Z2 Sb2 2.9997(14) 6_557 ? Z2 Sb1 2.9994(14) 2 ? Z2 Zr4 3.338(2) 6_557 ? V2 V2 2.646(4) 7_565 ? V2 Sb5 2.780(2) 6_657 ? V2 Sb1 2.795(2) 2 ? V2 Sb6 2.803(2) 2 ? V2 Sb3 2.812(2) 2 ? V2 V2 3.061(4) 7 ? VR6 V1 2.812(4) 6_657 ? VR6 Sb6 2.901(2) 6_657 ? VR6 Sb7 2.950(2) 7_566 ? VR6 Sb7 2.950(2) 1_556 ? VR6 Sb6 3.1362(11) 2 ? VR6 Sb6 3.1362(11) 2_565 ? M2 M2 2.833(3) 7_565 ? M2 Z2 2.833(3) 7_565 ? M2 M2 2.875(3) 7 ? M2 Z2 2.875(3) 7 ? M2 Sb2 2.9457(14) 2 ? M2 Sb3 2.9928(15) 5_556 ? M2 Sb2 2.9997(14) 6_557 ? M2 Sb1 2.9994(14) 2 ? M2 Zr4 3.338(2) 6_557 ? 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 V2 Sb1 V2 66.42(8) 8_665 2_554 ? V2 Sb1 Zr1 135.42(5) 8_665 . ? V2 Sb1 Zr1 135.42(5) 2_554 . ? V2 Sb1 M2 106.96(5) 8_665 8_665 ? V2 Sb1 M2 144.75(6) 2_554 8_665 ? Zr1 Sb1 M2 74.82(4) . 8_665 ? V2 Sb1 Z2 106.96(5) 8_665 8_665 ? V2 Sb1 Z2 144.75(6) 2_554 8_665 ? Zr1 Sb1 Z2 74.82(4) . 8_665 ? M2 Sb1 Z2 0.00(6) 8_665 8_665 ? V2 Sb1 M2 144.75(6) 8_665 2_554 ? V2 Sb1 M2 106.96(5) 2_554 2_554 ? Zr1 Sb1 M2 74.82(4) . 2_554 ? M2 Sb1 M2 57.27(5) 8_665 2_554 ? Z2 Sb1 M2 57.27(5) 8_665 2_554 ? V2 Sb1 Z2 144.75(6) 8_665 2_554 ? V2 Sb1 Z2 106.96(5) 2_554 2_554 ? Zr1 Sb1 Z2 74.82(4) . 2_554 ? M2 Sb1 Z2 57.27(5) 8_665 2_554 ? Z2 Sb1 Z2 57.27(5) 8_665 2_554 ? M2 Sb1 Z2 0.00(6) 2_554 2_554 ? V2 Sb1 Zr3 128.67(6) 8_665 2_554 ? V2 Sb1 Zr3 65.65(5) 2_554 2_554 ? Zr1 Sb1 Zr3 74.73(4) . 2_554 ? M2 Sb1 Zr3 122.68(5) 8_665 2_554 ? Z2 Sb1 Zr3 122.68(5) 8_665 2_554 ? M2 Sb1 Zr3 68.45(4) 2_554 2_554 ? Z2 Sb1 Zr3 68.45(4) 2_554 2_554 ? V2 Sb1 Zr3 65.65(5) 8_665 2_564 ? V2 Sb1 Zr3 128.67(6) 2_554 2_564 ? Zr1 Sb1 Zr3 74.73(4) . 2_564 ? M2 Sb1 Zr3 68.45(4) 8_665 2_564 ? Z2 Sb1 Zr3 68.45(4) 8_665 2_564 ? M2 Sb1 Zr3 122.68(5) 2_554 2_564 ? Z2 Sb1 Zr3 122.68(5) 2_554 2_564 ? Zr3 Sb1 Zr3 142.42(7) 2_554 2_564 ? V2 Sb1 Zr5 72.45(5) 8_665 . ? V2 Sb1 Zr5 72.45(5) 2_554 . ? Zr1 Sb1 Zr5 142.76(6) . . ? M2 Sb1 Zr5 72.63(4) 8_665 . ? Z2 Sb1 Zr5 72.63(4) 8_665 . ? M2 Sb1 Zr5 72.63(4) 2_554 . ? Z2 Sb1 Zr5 72.63(4) 2_554 . ? Zr3 Sb1 Zr5 108.77(4) 2_554 . ? Zr3 Sb1 Zr5 108.77(4) 2_564 . ? Zr4 Sb2 M2 142.56(4) . 2_554 ? Zr4 Sb2 Z2 142.56(4) . 2_554 ? M2 Sb2 Z2 0.00(6) 2_554 2_554 ? Zr4 Sb2 M2 142.56(4) . 8_665 ? M2 Sb2 M2 58.41(5) 2_554 8_665 ? Z2 Sb2 M2 58.41(5) 2_554 8_665 ? Zr4 Sb2 Z2 142.56(4) . 8_665 ? M2 Sb2 Z2 58.41(5) 2_554 8_665 ? Z2 Sb2 Z2 58.41(5) 2_554 8_665 ? M2 Sb2 Z2 0.00(6) 8_665 8_665 ? Zr4 Sb2 M2 69.20(4) . 6_657 ? M2 Sb2 M2 110.13(3) 2_554 6_657 ? Z2 Sb2 M2 110.13(3) 2_554 6_657 ? M2 Sb2 M2 143.61(4) 8_665 6_657 ? Z2 Sb2 M2 143.61(4) 8_665 6_657 ? Zr4 Sb2 Z2 69.20(4) . 6_657 ? M2 Sb2 Z2 110.13(3) 2_554 6_657 ? Z2 Sb2 Z2 110.13(3) 2_554 6_657 ? M2 Sb2 Z2 143.61(4) 8_665 6_657 ? Z2 Sb2 Z2 143.61(4) 8_665 6_657 ? M2 Sb2 Z2 0.00(6) 6_657 6_657 ? Zr4 Sb2 M2 69.20(4) . 4_556 ? M2 Sb2 M2 143.61(4) 2_554 4_556 ? Z2 Sb2 M2 143.61(4) 2_554 4_556 ? M2 Sb2 M2 110.13(3) 8_665 4_556 ? Z2 Sb2 M2 110.13(3) 8_665 4_556 ? M2 Sb2 M2 56.36(5) 6_657 4_556 ? Z2 Sb2 M2 56.36(5) 6_657 4_556 ? Zr4 Sb2 Z2 69.20(4) . 4_556 ? M2 Sb2 Z2 143.61(4) 2_554 4_556 ? Z2 Sb2 Z2 143.61(4) 2_554 4_556 ? M2 Sb2 Z2 110.13(3) 8_665 4_556 ? Z2 Sb2 Z2 110.13(3) 8_665 4_556 ? M2 Sb2 Z2 56.36(5) 6_657 4_556 ? Z2 Sb2 Z2 56.36(5) 6_657 4_556 ? M2 Sb2 Z2 0.00(6) 4_556 4_556 ? Zr4 Sb2 Zr5 84.21(5) . . ? M2 Sb2 Zr5 73.70(4) 2_554 . ? Z2 Sb2 Zr5 73.70(4) 2_554 . ? M2 Sb2 Zr5 73.70(4) 8_665 . ? Z2 Sb2 Zr5 73.70(4) 8_665 . ? M2 Sb2 Zr5 140.07(4) 6_657 . ? Z2 Sb2 Zr5 140.07(4) 6_657 . ? M2 Sb2 Zr5 140.07(4) 4_556 . ? Z2 Sb2 Zr5 140.07(4) 4_556 . ? Zr4 Sb2 Zr2 134.80(6) . 6_656 ? M2 Sb2 Zr2 72.41(4) 2_554 6_656 ? Z2 Sb2 Zr2 72.41(4) 2_554 6_656 ? M2 Sb2 Zr2 72.41(4) 8_665 6_656 ? Z2 Sb2 Zr2 72.41(4) 8_665 6_656 ? M2 Sb2 Zr2 71.20(4) 6_657 6_656 ? Z2 Sb2 Zr2 71.20(4) 6_657 6_656 ? M2 Sb2 Zr2 71.20(4) 4_556 6_656 ? Z2 Sb2 Zr2 71.20(4) 4_556 6_656 ? Zr5 Sb2 Zr2 140.99(5) . 6_656 ? Zr4 Sb2 Zr2 73.90(3) . 2 ? M2 Sb2 Zr2 71.05(4) 2_554 2 ? Z2 Sb2 Zr2 71.05(4) 2_554 2 ? M2 Sb2 Zr2 125.37(5) 8_665 2 ? Z2 Sb2 Zr2 125.37(5) 8_665 2 ? M2 Sb2 Zr2 70.82(4) 6_657 2 ? Z2 Sb2 Zr2 70.82(4) 6_657 2 ? #-----------------------------------------------------------------------