data_global _chemical_name_mineral 'Argentotetrahedrite-(Fe)' loop_ _publ_author_name 'Johnson M L' 'Burnham C W' _journal_name_full 'American Mineralogist' _journal_volume 70 _journal_year 1985 _journal_page_first 165 _journal_page_last 170 _publ_section_title ; Crystal structure refinement of an arsenic-bearing argentian tetrahedrite ; _database_code_amcsd 0000964 _chemical_formula_sum 'Cu7.68 Fe1.44 Ag2.118 (Sb2.7 As1.3) S13' _cell_length_a 10.530 _cell_length_b 10.530 _cell_length_c 10.530 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1167.576 _exptl_crystal_density_diffrn 4.665 _symmetry_space_group_name_H-M 'I -4 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-z,x,-y' '1/2-z,1/2+x,1/2-y' '-y,z,-x' '1/2-y,1/2+z,1/2-x' '-x,y,-z' '1/2-x,1/2+y,1/2-z' 'x,-z,-y' '1/2+x,1/2-z,1/2-y' 'z,-y,-x' '1/2+z,1/2-y,1/2-x' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' 'x,z,y' '1/2+x,1/2+z,1/2+y' 'z,y,x' '1/2+z,1/2+y,1/2+x' 'y,x,z' '1/2+y,1/2+x,1/2+z' '-z,-x,y' '1/2-z,1/2-x,1/2+y' '-y,-z,x' '1/2-y,1/2-z,1/2+x' '-x,-y,z' '1/2-x,1/2-y,1/2+z' 'z,-x,-y' '1/2+z,1/2-x,1/2-y' 'y,-z,-x' '1/2+y,1/2-z,1/2-x' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,z,-y' '1/2-x,1/2+z,1/2-y' '-z,y,-x' '1/2-z,1/2+y,1/2-x' '-y,x,-z' '1/2-y,1/2+x,1/2-z' '-x,-z,y' '1/2-x,1/2-z,1/2+y' '-z,-y,x' '1/2-z,1/2-y,1/2+x' '-y,-x,z' '1/2-y,1/2-x,1/2+z' 'z,x,y' '1/2+z,1/2+x,1/2+y' 'y,z,x' '1/2+y,1/2+z,1/2+x' 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 Cu1 0.25000 0.50000 0.00000 0.63300 ? Fe1 0.25000 0.50000 0.00000 0.24000 ? Cu2 0.21600 0.00000 0.00000 0.64700 ? Ag2 0.21600 0.00000 0.00000 0.35300 ? Sb 0.26830 0.26830 0.26830 0.67500 ? As 0.26830 0.26830 0.26830 0.32500 ? S1 0.12380 0.12380 0.36610 1.00000 ? S2 0.00000 0.00000 0.00000 1.00000 0.06586 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 Cu1 0.02752 0.00899 0.00899 0.00000 0.00000 0.00000 Fe1 0.02752 0.00899 0.00899 0.00000 0.00000 0.00000 Cu2 0.05673 0.06853 0.06853 0.00000 0.00000 -0.03820 Ag2 0.05673 0.06853 0.06853 0.00000 0.00000 -0.03820 Sb 0.01292 0.01292 0.01292 -0.00225 -0.00225 -0.00225 As 0.01292 0.01292 0.01292 -0.00225 -0.00225 -0.00225 S1 0.03707 0.03707 0.02191 0.01685 -0.00618 -0.00618