data_global _chemical_name_mineral 'Nuffieldite' loop_ _publ_author_name 'Moelo Y' 'Meerschaut A' 'Makovicky E' _journal_name_full 'The Canadian Mineralogist' _journal_volume 35 _journal_year 1997 _journal_page_first 1497 _journal_page_last 1508 _publ_section_title ; Refinement of the crystal structure of nuffieldite, Pb2Cu1.4(Pb.4Bi.4Sb.2)Bi2S7: Structural relationships and genesis of complex lead sulfosalt structures ; _database_code_amcsd 0005532 _chemical_formula_sum 'Pb2.37 Bi2.39 Sb.24 Cu1.37 S7' _cell_length_a 14.4949 _cell_length_b 21.4195 _cell_length_c 4.0420 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1254.934 _exptl_crystal_density_diffrn 7.046 _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 PbM1 0.15580 0.19550 0.25000 1.00000 ? BiM2 0.39050 0.33299 0.25000 1.00000 ? PbM3 0.63260 0.02390 0.25000 1.00000 ? BiM4 0.60000 0.47090 0.25000 0.39000 ? PbM4 0.60000 0.47090 0.25000 0.37000 ? SbM4 0.60000 0.47090 0.25000 0.24000 ? BiM5 0.95400 0.34229 0.25000 1.00000 ? Cu1 0.67180 0.17220 0.25000 1.00000 0.02533 Cu2 0.28100 0.06960 0.25000 0.37000 0.02406 S1 0.51860 0.24370 0.25000 1.00000 0.01267 S2 0.00670 0.11090 0.25000 1.00000 0.01520 S3 0.44290 0.06340 0.25000 1.00000 0.01393 S4 0.80060 0.23110 0.25000 1.00000 0.01140 S5 0.12900 0.37080 0.25000 1.00000 0.01267 S6 0.72690 0.38790 0.25000 1.00000 0.01773 S7 0.31080 0.47090 0.25000 1.00000 0.02153 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 PbM1 0.03000 0.03400 0.01190 -0.00900 0.00000 0.00000 BiM2 0.01740 0.01710 0.00990 0.00220 0.00000 0.00000 PbM3 0.03200 0.04400 0.02500 -0.01300 0.00000 0.00000 BiM4 0.02200 0.02600 0.01360 0.00100 0.00000 0.00000 PbM4 0.02200 0.02600 0.01360 0.00100 0.00000 0.00000 SbM4 0.02200 0.02600 0.01360 0.00100 0.00000 0.00000 BiM5 0.01870 0.02260 0.01030 0.00060 0.00000 0.00000