data_global _chemical_name_mineral 'Antimonpearceite' loop_ _publ_author_name 'Evain M' 'Bindi L' 'Menchetti S' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 62 _journal_year 2006 _journal_page_first 768 _journal_page_last 774 _publ_section_title ; Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)6(Sb,As)2(S,Se)7]-[Ag9Cu(S,Se)2Se2] Sample: T = 300 K ; _database_code_amcsd 0009942 _chemical_compound_source 'De Lamar mine, Idaho, USA' _chemical_formula_sum '(Sb1.66 As.34) Ag16.08 Cu1.84 S8.34 Se2.66' _cell_length_a 7.5950 _cell_length_b 7.5950 _cell_length_c 12.0731 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 603.122 _exptl_crystal_density_diffrn 7.039 _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 Sb 0.33333 0.66667 0.40561 0.83000 0.02348 As 0.33333 0.66667 0.40561 0.17000 0.02348 Ag1a 0.28510 0.14260 0.38990 0.68000 0.05260 Ag1b 0.35100 0.17530 0.36290 0.25000 0.07300 Cu1b 0.35100 0.17530 0.36290 0.07000 0.07300 Ag2 0.24580 0.36490 0.11900 0.29600 0.16300 Ag3 0.35280 0.31280 0.11870 0.45400 0.15700 Cu 0.00000 0.00000 0.00000 1.00000 0.03130 S1 0.00000 0.00000 0.18217 0.83000 0.03120 Se1 0.00000 0.00000 0.18217 0.17000 0.03120 S2 0.01460 0.50730 0.30757 1.00000 0.03810 S3 0.00000 0.00000 0.50000 0.68000 0.11700 Se3 0.00000 0.00000 0.50000 0.32000 0.11700 Se 0.66667 0.33333 0.01780 1.00000 0.04660 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 Sb 0.02430 0.02430 0.02190 0.01213 0.00000 0.00000 As 0.02430 0.02430 0.02190 0.01213 0.00000 0.00000 Ag1a 0.05880 0.05010 0.05180 0.02940 0.00330 0.00170 Ag1b 0.10500 0.05140 0.08000 0.05270 0.05000 0.02500 Cu1b 0.10500 0.05140 0.08000 0.05270 0.05000 0.02500 Ag2 0.26700 0.03790 0.05490 -0.01900 -0.05000 0.00440 Ag3 0.07900 0.28900 0.06900 0.06600 0.00460 -0.02100 Cu 0.03870 0.03870 0.01660 0.01930 0.00000 0.00000 S1 0.03660 0.03660 0.02050 0.01830 0.00000 0.00000 Se1 0.03660 0.03660 0.02050 0.01830 0.00000 0.00000 S2 0.02140 0.03870 0.04850 0.01070 -0.00360 -0.00180 S3 0.15200 0.15200 0.04700 0.07600 0.00000 0.00000 Se3 0.15200 0.15200 0.04700 0.07600 0.00000 0.00000 Se 0.04550 0.04550 0.04870 0.02270 0.00000 0.00000