data_global _chemical_name_mineral 'Pearceite' loop_ _publ_author_name 'Bindi L' 'Evain M' 'Menchetti S' _journal_name_full 'The Canadian Mineralogist' _journal_volume 45 _journal_year 2007 _journal_page_first 321 _journal_page_last 333 _publ_section_title ; Complex twinning, polytypism and disorder phenomena in the crystal structures of antimonpearceite and arsenpolybasite Sample: 221 Note: mineral name has been changed from arsenpolybasite Note: this is type pearceite-T2ac ; _database_code_amcsd 0006141 _chemical_compound_source 'St. Joachimsthal, Bohemia, Czech Republic' _chemical_formula_sum 'Ag29.046 Cu2.954 As4 S22' _cell_length_a 14.9746 _cell_length_b 14.9746 _cell_length_c 11.9982 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 2330.007 _exptl_crystal_density_diffrn 6.166 _symmetry_space_group_name_H-M 'P 3 2 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,-z' '-y,x-y,z' '-x,-x+y,-z' '-x+y,-x,z' 'x-y,-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 Ag1 0.36371 0.42908 0.10401 1.00000 0.03890 Ag2 0.09037 0.42152 0.13506 0.81300 0.05000 Cu2* 0.09040 0.42150 0.13510 0.18700 0.05000 Ag3 0.07803 0.15006 0.11754 0.86900 0.05690 Cu3* 0.07800 0.15010 0.11750 0.13100 0.05690 Ag4 0.57112 0.41821 0.11501 1.00000 0.05060 Ag5 0.34634 0.54688 0.39198 1.00000 0.04460 Ag6 0.26987 0.06958 0.39070 1.00000 0.05800 Ag7 0.13407 0.17634 0.37296 1.00000 0.05740 Ag8 0.52522 0.16860 0.37615 1.00000 0.06950 Ag9 0.10038 0.42134 0.39254 1.00000 0.04480 Ag10 0.38282 0.30734 0.36580 1.00000 0.08750 Cu1 0.00000 0.51201 0.50000 1.00000 0.02510 Cu2 0.00000 0.00000 0.50000 1.00000 0.03310 As1 0.33333 0.66667 0.09980 1.00000 0.02040 As2 0.33359 0.16003 0.09832 1.00000 0.01890 S1 0.27150 0.51500 0.19060 1.00000 0.02380 S2 -0.01023 0.24020 0.19810 1.00000 0.02640 S3 0.26180 0.24680 0.17770 1.00000 0.02660 S4 0.48390 0.24150 0.19220 1.00000 0.02670 S5 0.49380 0.50125 0.32031 1.00000 0.02260 S6 0.00000 0.00000 0.32010 1.00000 0.02370 S7 0.19530 0.34300 0.46279 1.00000 0.02740 S8 0.33333 0.66667 0.53930 1.00000 0.03060 S9 0.53240 0.53240 0.00000 1.00000 0.05290 S10 0.02480 0.02480 0.00000 0.33333 0.07000 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 Ag1 0.04130 0.03600 0.04190 0.02130 0.00950 0.00130 Ag2 0.03010 0.04390 0.05610 0.00350 -0.01110 0.00270 Cu2' 0.03010 0.04390 0.05610 0.00350 -0.01110 0.00270 Ag3 0.04400 0.07530 0.06170 0.03760 0.00390 0.00530 Cu3' 0.04400 0.07530 0.06170 0.03760 0.00390 0.00530 Ag4 0.04270 0.03890 0.05340 0.00790 -0.00220 0.00380 Ag5 0.04250 0.05310 0.04070 0.02590 -0.00290 -0.01210 Ag6 0.09540 0.05040 0.03620 0.04240 -0.01370 -0.01160 Ag7 0.07870 0.02730 0.04900 0.01370 -0.01930 -0.00200 Ag8 0.12530 0.03270 0.04000 0.03160 -0.00820 0.00200 Ag9 0.05740 0.04710 0.04970 0.04100 -0.01710 -0.01080 Ag10 0.14420 0.02660 0.03420 -0.00040 0.00550 0.00260 Cu1 0.03060 0.03000 0.01490 0.01530 -0.00110 -0.00060 Cu2 0.04070 0.04070 0.01790 0.02040 0.00000 0.00000 As1 0.02180 0.02180 0.01750 0.01090 0.00000 0.00000 As2 0.02010 0.01950 0.01660 0.00960 0.00070 -0.00010 S1 0.02150 0.02080 0.03030 0.01150 0.00120 -0.00260 S2 0.01570 0.02780 0.03010 0.00680 -0.00120 0.00010 S3 0.02810 0.02730 0.03050 0.01840 0.00100 0.00010 S4 0.02090 0.02030 0.03690 0.00870 -0.00370 0.00210 S5 0.03010 0.02020 0.01490 0.01060 0.00190 -0.00060 S6 0.02700 0.02700 0.01710 0.01350 0.00000 0.00000 S7 0.03350 0.02640 0.02560 0.01750 -0.00290 -0.00160 S8 0.03270 0.03270 0.02600 0.01630 0.00000 0.00000 S9 0.04970 0.04970 0.02700 0.00100 -0.00220 0.00220 S10 0.06000 0.06000 0.03600 -0.01000 -0.02500 0.02500