data_global _chemical_name_mineral 'Tetrahedrite' loop_ _publ_author_name 'Peterson R C' 'Miller I' _journal_name_full 'Mineralogical Magazine' _journal_volume 50 _journal_year 1986 _journal_page_first 717 _journal_page_last 721 _publ_section_title ; Crystal structure and cation distribution in freibergite and tetrahedrite ; _database_code_amcsd 0014485 _chemical_compound_source 'Turquetil Lake, Northwest Territories, Canada' _chemical_formula_sum '(Cu10.08 Fe.96 Zn.96) (Sb3.72 As.28) S13' _cell_length_a 10.364 _cell_length_b 10.364 _cell_length_c 10.364 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1113.223 _exptl_crystal_density_diffrn 4.916 _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 0.84000 ? Fe1 0.25000 0.50000 0.00000 0.08000 ? Zn1 0.25000 0.50000 0.00000 0.08000 ? Cu2 0.21650 0.00000 0.00000 0.84000 ? Fe2 0.21650 0.00000 0.00000 0.08000 ? Zn2 0.21650 0.00000 0.00000 0.08000 ? Sb 0.26790 0.26790 0.26790 0.93000 ? As 0.26790 0.26790 0.26790 0.07000 ? S1 0.11590 0.11590 0.36150 1.00000 ? S2 0.00000 0.00000 0.00000 1.00000 0.01596 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 0.01850 0.01469 0.01469 0.00000 0.00000 0.00000 Fe1 0.01850 0.01469 0.01469 0.00000 0.00000 0.00000 Zn1 0.01850 0.01469 0.01469 0.00000 0.00000 0.00000 Cu2 0.01306 0.07020 0.07020 0.00000 0.00000 -0.05224 Fe2 0.01306 0.07020 0.07020 0.00000 0.00000 -0.05224 Zn2 0.01306 0.07020 0.07020 0.00000 0.00000 -0.05224 Sb 0.01524 0.01524 0.01524 -0.00218 -0.00218 -0.00218 As 0.01524 0.01524 0.01524 -0.00218 -0.00218 -0.00218 S1 0.01360 0.01360 0.00871 -0.00272 -0.00054 -0.00054