data_global _chemical_name_mineral 'Semseyite' loop_ _publ_author_name 'Kohatsu J J' 'Wuensch B J' _journal_name_full 'American Mineralogist' _journal_volume 59 _journal_year 1974 _journal_page_first 1127 _journal_page_last 1127 _publ_section_title ; Semseyite (Pb9Sb8S21) and the crystal chemistry of the plagionite group, Pb3+2nSb8S15+2n Note: structure from ICSD ; _database_code_amcsd 0000427 _chemical_formula_sum 'Pb9 Sb8 S21' _cell_length_a 13.603 _cell_length_b 11.936 _cell_length_c 24.453 _cell_angle_alpha 90 _cell_angle_beta 106.047 _cell_angle_gamma 90 _cell_volume 3815.619 _exptl_crystal_density_diffrn 6.114 _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 0.95570 0.25000 ? Pb2 0.22760 0.01430 0.30680 ? Pb3 0.26830 0.22750 0.09270 ? Pb4 0.02260 0.11510 0.14260 ? Pb5 0.24980 0.05270 0.48210 ? Sb1 0.50670 0.33280 0.47400 ? Sb2 0.48410 0.94200 0.42450 ? Sb3 0.22320 0.32300 0.37930 ? Sb4 0.45220 0.25860 0.31600 ? S1 0.00000 0.89550 0.25000 0.01887 S2 0.32120 0.40360 0.31740 0.01570 S3 0.11060 0.49690 0.36980 0.01203 S4 0.36750 0.11450 0.40130 0.01418 S5 0.38100 0.55150 0.45240 0.01431 S6 0.37140 0.44210 0.10200 0.01697 S7 0.12350 0.33830 0.15240 0.01621 S8 0.11120 0.22210 0.30330 0.01469 S9 0.35710 0.13350 0.24400 0.01900 S10 0.09580 0.21290 0.45570 0.01710 S11 0.36620 0.17340 0.00170 0.01469 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 0.02528 0.00873 0.02266 0.00000 -0.00311 0.00000 Pb2 0.01602 0.00794 0.01679 0.00213 0.00311 -0.00099 Pb3 0.01593 0.00765 0.01791 -0.00119 0.00514 0.00000 Pb4 0.01636 0.00758 0.02070 0.00079 0.00591 0.00199 Pb5 0.02182 0.01638 0.01958 0.00174 0.00560 -0.00085 Sb1 0.01472 0.00217 0.01763 0.00142 0.00514 -0.00014 Sb2 0.01238 0.00202 0.01930 -0.00079 0.00591 0.00043 Sb3 0.01524 0.00152 0.01455 0.00174 0.00576 0.00412 Sb4 0.01472 0.01176 0.01595 0.00087 0.00638 -0.00256