data_global _chemical_name_mineral 'Nordstromite' loop_ _publ_author_name 'Mumme W G' _journal_name_full 'The Canadian Mineralogist' _journal_volume 18 _journal_year 1980 _journal_page_first 343 _journal_page_last 352 _publ_section_title ; The crystal structure of nordstromite CuPb3Bi7(S,Se)14, from Falun, Sweden: A member of the junoite homologous series ; _database_code_amcsd 0005180 _chemical_compound_source 'Falun, Sweden' _chemical_formula_sum 'Bi7.92 Pb2.08 Cu S10.8 Se3.2' _cell_length_a 17.97 _cell_length_b 4.11 _cell_length_c 17.62 _cell_angle_alpha 90 _cell_angle_beta 94.3 _cell_angle_gamma 90 _cell_volume 1297.692 _exptl_crystal_density_diffrn 7.034 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-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 BiMe1 0.09090 0.25000 0.05400 0.73000 PbMe1 0.09090 0.25000 0.05400 0.27000 PbMe2 0.32680 0.25000 0.04410 1.00000 BiMe3 0.21330 0.75000 0.22380 1.00000 BiMe4 0.45210 0.75000 0.23640 1.00000 BiMe5 0.04960 0.25000 0.39470 1.00000 BiMe6 0.32100 0.25000 0.40600 0.73000 PbMe6 0.32100 0.25000 0.40600 0.27000 BiMe7 0.15190 0.25000 0.61210 1.00000 BiMe8 0.43770 0.75000 0.58180 0.73000 PbMe8 0.43770 0.75000 0.58180 0.27000 BiMe9 0.10710 0.75000 0.81400 0.73000 PbMe9 0.10710 0.75000 0.81400 0.27000 BiMe10 0.31340 0.25000 0.81220 1.00000 Cu1 0.47860 0.75000 0.93050 1.00000 S1 0.00160 0.25000 0.91210 1.00000 S2 0.21130 0.75000 0.07090 1.00000 S3 0.45720 0.75000 0.08630 1.00000 S4 0.11060 0.25000 0.21870 0.20000 Se4 0.11060 0.25000 0.21870 0.80000 S5 0.33180 0.25000 0.22530 1.00000 S6 0.21670 0.75000 0.39690 0.20000 Se6 0.21670 0.75000 0.39690 0.80000 S7 0.44390 0.75000 0.41060 1.00000 S8 0.07280 0.75000 0.52450 1.00000 S9 0.32620 0.25000 0.56700 0.20000 Se9 0.32620 0.25000 0.56700 0.80000 S10 0.03990 0.25000 0.69190 1.00000 S11 0.21310 0.75000 0.71280 1.00000 S12 0.43820 0.75000 0.73710 0.20000 Se12 0.43820 0.75000 0.73710 0.80000 S13 0.18850 0.25000 0.88930 0.20000 S13 0.18850 0.25000 0.88930 0.80000 S14 0.35260 0.75000 0.91570 1.00000 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 BiMe1 0.03742 0.04416 0.04223 0.00000 0.00160 0.00000 PbMe1 0.03742 0.04416 0.04223 0.00000 0.00160 0.00000 PbMe2 0.04880 0.03808 0.05474 0.00000 0.00638 0.00000 BiMe3 0.03253 0.04185 0.03597 0.00000 0.00160 0.00000 BiMe4 0.03416 0.05109 0.03597 0.00000 0.00160 0.00000 BiMe5 0.04067 0.04322 0.05005 0.00000 -0.00319 0.00000 BiMe6 0.03416 0.05417 0.03597 0.00000 -0.00160 0.00000 PbMe6 0.03416 0.05417 0.03597 0.00000 -0.00160 0.00000 BiMe7 0.04230 0.04399 0.03910 0.00000 0.00160 0.00000 BiMe8 0.03904 0.03911 0.03597 0.00000 0.00160 0.00000 PbMe8 0.03904 0.03911 0.03597 0.00000 0.00160 0.00000 BiMe9 0.05531 0.04724 0.03597 0.00000 0.00319 0.00000 PbMe9 0.05531 0.04724 0.03597 0.00000 0.00319 0.00000 BiMe10 0.04555 0.03859 0.05005 0.00000 -0.00479 0.00000 Cu1 0.05368 0.07240 0.06882 0.00000 0.00479 0.00000 S1 0.04880 0.00745 0.05318 0.00000 0.00479 0.00000 S2 0.02765 0.01301 0.04692 0.00000 -0.00160 0.00000 S3 0.02440 0.02867 0.03128 0.00000 -0.00479 0.00000 S4 0.05206 0.05665 0.03910 0.00000 0.00319 0.00000 Se4 0.05206 0.05665 0.03910 0.00000 0.00319 0.00000 S5 0.01952 0.03004 0.02815 0.00000 -0.00319 0.00000 S6 0.03904 0.02747 0.05005 0.00000 -0.00160 0.00000 Se6 0.03904 0.02747 0.05005 0.00000 -0.00160 0.00000 S7 0.02765 0.04125 0.01408 0.00000 -0.00160 0.00000 S8 0.06995 0.00907 0.03284 0.00000 0.00319 0.00000 S9 0.02928 0.03346 0.04692 0.00000 -0.00160 0.00000 Se9 0.02928 0.03346 0.04692 0.00000 -0.00160 0.00000 S10 0.03904 0.03363 0.02033 0.00000 -0.02233 0.00000 S11 0.03091 0.03201 0.03284 0.00000 -0.00319 0.00000 S12 0.04230 0.08455 0.05474 0.00000 0.00160 0.00000 Se12 0.04230 0.08455 0.05474 0.00000 0.00160 0.00000 S13 0.06019 0.06512 0.07507 0.00000 -0.01436 0.00000 S13 0.06019 0.06512 0.07507 0.00000 -0.01436 0.00000 S14 0.02765 0.07574 0.04066 0.00000 -0.00479 0.00000