data_global _chemical_name_mineral 'Paarite' loop_ _publ_author_name 'Makovicky E' 'Topa D' 'Balic-Zunic T' _journal_name_full 'The Canadian Mineralogist' _journal_volume 39 _journal_year 2001 _journal_page_first 1377 _journal_page_last 1382 _publ_section_title ; The crystal structure of paarite, the newly discovered 56 A derivative of the bismuthinite-aikinite solid-solution series ; _database_code_amcsd 0005754 _chemical_formula_sum 'Bi8 Pb2 Cu2 S15' _cell_length_a 4.0070 _cell_length_b 55.998 _cell_length_c 11.512 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2583.108 _exptl_crystal_density_diffrn 6.928 _symmetry_space_group_name_H-M 'P m c n' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,z' '1/2+x,-y,-z' '1/2+x,1/2+y,1/2-z' '1/2-x,1/2-y,1/2+z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-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 Bi1 0.75000 0.06455 0.50740 0.04180 Bi2 0.25000 0.00787 0.65750 0.04380 Bi3 0.75000 0.03372 0.02090 0.04050 Bi4 0.25000 0.16240 -0.02900 0.04270 Bi5 0.25000 0.09265 0.14760 0.04490 Bi6 0.75000 0.23416 0.00810 0.04190 Bi7 0.25000 0.13711 0.47430 0.04230 Bi8 0.25000 0.29219 0.14600 0.04470 Pb1 0.75000 0.09871 0.81710 0.04890 Pb2 0.75000 0.19974 0.31670 0.04830 Cu1 0.75000 0.15692 0.71920 0.04800 Cu2 0.75000 0.14191 0.21970 0.05000 S1 0.25000 0.08920 0.60860 0.04000 S2 0.25000 0.02520 0.44840 0.03900 S3 0.75000 0.04020 0.70840 0.03800 S4 0.25000 0.01040 0.12700 0.04100 S5 0.25000 0.07140 0.94800 0.03800 S6 0.25000 0.13790 0.77230 0.03900 S7 0.75000 0.18810 0.86730 0.04000 S8 0.75000 0.12520 0.03620 0.04300 S9 0.75000 0.06130 0.21260 0.03900 S10 0.25000 0.21030 0.11010 0.03900 S11 0.25000 0.22810 0.44370 0.04000 S12 0.25000 0.16090 0.27480 0.03900 S13 0.75000 0.11200 0.37270 0.03900 S14 0.75000 0.17510 0.53720 0.04100 S15 0.75000 0.23940 0.70580 0.03900 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 Bi1 0.03980 0.04200 0.04370 0.00000 0.00000 0.00390 Bi2 0.04340 0.04470 0.04330 0.00000 0.00000 0.00170 Bi3 0.03930 0.03950 0.04280 0.00000 0.00000 0.00220 Bi4 0.04100 0.04680 0.04040 0.00000 0.00000 0.00130 Bi5 0.04540 0.04320 0.04620 0.00000 0.00000 -0.00310 Bi6 0.03970 0.04350 0.04260 0.00000 0.00000 0.00450 Bi7 0.04030 0.04730 0.03930 0.00000 0.00000 0.00270 Bi8 0.04510 0.04770 0.04130 0.00000 0.00000 -0.00450 Pb1 0.05030 0.04930 0.04700 0.00000 0.00000 0.00460 Pb2 0.04840 0.04960 0.04700 0.00000 0.00000 0.00570 Cu1 0.05000 0.05500 0.04100 0.00000 0.00000 0.00000 Cu2 0.05200 0.05200 0.04400 0.00000 0.00000 0.00400 S1 0.04900 0.03600 0.03600 0.00000 0.00000 0.00000 S2 0.04000 0.04400 0.03400 0.00000 0.00000 -0.00300 S3 0.03900 0.03100 0.04300 0.00000 0.00000 0.00500 S4 0.03900 0.04900 0.03400 0.00000 0.00000 0.00400 S5 0.03500 0.04600 0.03300 0.00000 0.00000 0.00400 S6 0.04300 0.03300 0.04200 0.00000 0.00000 -0.00100 S7 0.04600 0.03200 0.04200 0.00000 0.00000 -0.00100 S8 0.04200 0.04900 0.03600 0.00000 0.00000 0.00300 S9 0.04100 0.03600 0.03900 0.00000 0.00000 0.00500 S10 0.04300 0.02800 0.04500 0.00000 0.00000 0.00400 S11 0.04500 0.02900 0.04400 0.00000 0.00000 0.00200 S12 0.04000 0.04300 0.03400 0.00000 0.00000 -0.00100 S13 0.04400 0.03500 0.03700 0.00000 0.00000 -0.00700 S14 0.04500 0.03800 0.03900 0.00000 0.00000 -0.00100 S15 0.04100 0.03900 0.03700 0.00000 0.00000 -0.00800