data_global _chemical_name_mineral 'Heteromorphite' loop_ _publ_author_name 'Edenharter A' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 151 _journal_year 1980 _journal_page_first 193 _journal_page_last 202 _publ_section_title ; Die kristallstruktur von heteromorphit, Pb7Sb8S19 ; _database_code_amcsd 0010822 _chemical_formula_sum 'Pb7 Sb8 S19' _cell_length_a 13.628 _cell_length_b 11.943 _cell_length_c 21.285 _cell_angle_alpha 90 _cell_angle_beta 90.92 _cell_angle_gamma 90 _cell_volume 3463.883 _exptl_crystal_density_diffrn 5.817 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-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 0.50000 0.00300 0.25000 ? Pb2 0.35040 0.27860 0.42620 ? Pb3 0.08080 0.17400 0.37050 ? Pb4 0.19640 0.06980 0.18740 ? Sbl 0.37560 0.39530 0.00780 ? Sb2 0.39160 -0.00840 0.05520 ? Sb3 0.15330 0.38250 0.10440 ? Sb4 0.41530 0.31180 0.17780 ? S1 0.50000 0.45120 0.25000 0.02052 S2 0.17810 0.38900 0.35920 0.02090 S3 0.08140 0.27200 0.18990 0.02698 S4 0.22770 0.10710 0.47510 0.01646 S5 0.28700 0.45600 0.17770 0.01469 S6 0.28240 0.16640 0.08160 0.02482 S7 0.35100 0.18700 0.25330 0.02596 S8 0.04220 -0.00080 0.08440 0.02280 S9 0.01020 0.27570 0.47400 0.02508 S10 0.45320 0.04370 0.37830 0.02634 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 0.04327 0.03107 0.02983 0.00000 0.04701 0.00000 Pb2 0.03951 0.03324 0.06654 0.00412 0.02791 -0.01288 Pb3 0.03857 0.03179 0.05048 -0.00165 0.02351 0.00386 Pb4 0.03104 0.02601 0.02295 0.00495 0.03232 0.00000 Sbl 0.01975 0.01517 0.01836 0.00000 0.02791 0.00386 Sb2 0.02634 0.02890 0.02295 -0.00660 0.03379 0.00515 Sb3 0.02446 0.02240 0.01377 0.00412 0.02791 -0.00258 Sb4 0.02258 0.02096 0.01377 -0.00082 0.02204 -0.00644