data_global _amcsd_formula_title 'Pb2Sb2S5' loop_ _publ_author_name 'Skowron A' 'Brown I D' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 534 _journal_page_last 536 _publ_section_title ; Structure of Pb2Sb2S5 Note: polymorphic with veenite ; _database_code_amcsd 0010119 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Sb2.56 Pb1.44 S5' _cell_length_a 11.355 _cell_length_b 19.783 _cell_length_c 4.042 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 907.979 _exptl_crystal_density_diffrn 5.636 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv SbM1 0.37570 0.37150 0.25000 1.00000 0.01820 SbM2 0.70220 0.47580 0.25000 0.90000 0.03260 PbM2 0.70220 0.47580 0.25000 0.10000 0.03260 SbM3 0.99830 0.40080 0.75000 0.32000 0.02880 PbM3 0.99830 0.40080 0.75000 0.68000 0.02880 SbM4 0.66780 0.29140 0.75000 0.34000 0.04070 PbM4 0.66780 0.29140 0.75000 0.66000 0.04070 S1 0.49500 0.26700 0.25000 1.00000 0.01890 S2 0.81830 0.36850 0.25000 1.00000 0.01870 S3 0.86900 0.52120 0.75000 1.00000 0.02100 S4 0.56590 0.42210 0.75000 1.00000 0.02500 S5 0.24950 0.32880 0.75000 1.00000 0.03040