data_global _chemical_name_mineral 'Znamenskyite' loop_ _publ_author_name 'Kramer V' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 42 _journal_year 1986 _journal_page_first 1089 _journal_page_last 1091 _publ_section_title ; Lead indium bismuth chalcogenides. III. Structure of Pb4In2Bi4S13 ; _database_code_amcsd 0020219 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Pb4 In2 Bi4 S13' _cell_length_a 21.344 _cell_length_b 26.494 _cell_length_c 4.002 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2263.083 _exptl_crystal_density_diffrn 6.783 _symmetry_space_group_name_H-M 'P b a m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' 'x,y,-z' '-x,-y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pb1 0.03590 0.15860 0.50000 0.03200 Pb2 0.17240 0.27880 0.50000 0.03700 Pb3 0.18300 0.43240 0.50000 0.03200 Pb4 0.37540 0.25010 0.50000 0.03400 In1 0.00000 0.00000 0.00000 0.01500 In2 0.22550 0.16240 0.00000 0.02100 In3 0.50000 0.00000 0.00000 0.01900 Bi1 0.02320 0.34310 0.00000 0.02900 Bi2 0.15470 0.02490 0.50000 0.02000 Bi3 0.35730 0.39030 0.00000 0.02400 Bi4 0.38340 0.08480 0.50000 0.02100 S1 0.00910 0.42920 0.50000 0.02600 S2 0.02620 0.27850 0.50000 0.02300 S3 0.08330 0.07250 0.00000 0.02700 S4 0.12110 0.20250 0.00000 0.02500 S5 0.14670 0.35780 0.00000 0.02100 S6 0.24520 0.11000 0.50000 0.01600 S7 0.27290 0.24520 0.00000 0.02100 S8 0.27610 0.47400 0.00000 0.02900 S9 0.29290 0.35200 0.50000 0.02400 S10 0.38190 0.00870 0.00000 0.02600 S11 0.39510 0.15740 0.00000 0.03500 S12 0.43480 0.45020 0.50000 0.03000 S13 0.43810 0.31340 0.00000 0.02400 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pb1 0.02300 0.05000 0.02200 0.00400 0.00000 0.00000 Pb2 0.05000 0.03100 0.02900 0.00900 0.00000 0.00000 Pb3 0.04300 0.03500 0.01900 -0.01000 0.00000 0.00000 Pb4 0.03700 0.04800 0.01800 -0.01600 0.00000 0.00000 In1 0.01000 0.02600 0.00900 0.00000 0.00000 0.00000 In2 0.02900 0.02500 0.01000 0.00700 0.00000 0.00000 In3 0.01500 0.02700 0.01600 0.00200 0.00000 0.00000 Bi1 0.02500 0.04200 0.01900 0.00200 0.00000 0.00000 Bi2 0.02000 0.02900 0.01200 0.00000 0.00000 0.00000 Bi3 0.02300 0.03300 0.01600 -0.00100 0.00000 0.00000 Bi4 0.02000 0.03000 0.01300 0.00100 0.00000 0.00000 S1 0.02400 0.03400 0.02100 -0.00100 0.00000 0.00000 S2 0.01400 0.02400 0.02900 -0.00200 0.00000 0.00000 S3 0.03000 0.02500 0.02500 0.00900 0.00000 0.00000 S4 0.01900 0.03500 0.02100 -0.00600 0.00000 0.00000 S5 0.02500 0.01700 0.02000 -0.01300 0.00000 0.00000 S6 0.01500 0.02900 0.00500 -0.00100 0.00000 0.00000 S7 0.01500 0.03500 0.01400 0.00000 0.00000 0.00000 S8 0.03100 0.03300 0.02500 -0.01100 0.00000 0.00000 S9 0.02700 0.03700 0.00900 -0.00400 0.00000 0.00000 S10 0.01800 0.02100 0.04000 -0.00100 0.00000 0.00000 S11 0.03300 0.03200 0.04000 0.00000 0.00000 0.00000 S12 0.03600 0.03100 0.02300 0.00200 0.00000 0.00000 S13 0.02400 0.03400 0.01300 -0.00900 0.00000 0.00000