data_global _chemical_name_mineral 'Pearceite' loop_ _publ_author_name 'Bindi L' 'Evain M' 'Menchetti S' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 62 _journal_year 2006 _journal_page_first 212 _journal_page_last 219 _publ_section_title ; Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)16(As,Sb)2S11 Sample: T = 15 K ; _database_code_amcsd 0009933 _chemical_compound_source 'Clara mine, Black Forest, Germany' _chemical_formula_sum '(As1.192 Sb.808) Ag12.226 Cu3.772 S11' _cell_length_a 7.3890 _cell_length_b 7.3890 _cell_length_c 11.816 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 558.692 _exptl_crystal_density_diffrn 6.238 _symmetry_space_group_name_H-M 'P -3 m 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' '-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 As 0.33333 0.66667 0.40976 0.59600 0.01440 Sb 0.33333 0.66667 0.40976 0.40400 0.01440 Ag1 0.29890 0.14946 0.38540 0.53800 0.03010 Cu1 0.29892 0.14946 0.38540 0.46200 0.03010 Ag2 0.36060 0.22150 0.12390 0.15200 0.01750 Ag3 0.33410 0.36750 0.11090 0.22500 0.03460 Ag4 0.44750 0.55250 0.11330 0.10570 0.06900 Ag5 0.35680 0.29540 0.12280 0.10200 0.01620 Ag6 0.25100 0.38210 0.12110 0.21800 0.05000 Cu2 0.00000 0.00000 0.00000 1.00000 0.01950 S1 0.00000 0.00000 0.18290 1.00000 0.02080 S2 0.01520 0.50762 0.31195 1.00000 0.02040 S3 0.66667 0.33333 0.02100 1.00000 0.03580 S4 0.08610 0.00000 0.50000 0.16667 0.01800 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 As 0.01480 0.01480 0.01380 0.00740 0.00000 0.00000 Sb 0.01480 0.01480 0.01380 0.00740 0.00000 0.00000 Ag1 0.04180 0.02370 0.03100 0.02090 -0.02230 -0.01120 Cu1 0.04180 0.02370 0.03100 0.02090 -0.02230 -0.01120 Ag4 0.08400 0.08400 0.02000 0.02700 -0.01200 0.01200 Ag6 0.09500 0.02400 0.01920 0.02230 -0.02000 -0.00390 Cu2 0.02520 0.02520 0.00820 0.01260 0.00000 0.00000 S1 0.02510 0.02510 0.01230 0.01250 0.00000 0.00000 S2 0.01750 0.01990 0.02300 0.00870 0.00220 0.00110 S3 0.04090 0.04090 0.02540 0.02050 0.00000 0.00000 S4 0.01500 0.02900 0.01400 0.01400 0.00000 0.00000