data_global _chemical_name_mineral 'Tetrahedrite' loop_ _publ_author_name 'Makovicky E' 'Skinner B J' _journal_name_full 'The Canadian Mineralogist' _journal_volume 17 _journal_year 1979 _journal_page_first 619 _journal_page_last 634 _publ_section_title ; Studies of the sulfosalts of copper VII. Crystal structures of the exolution products Cu12.3Sb4S13 and Cu13.8Sb4S13 of unsubstituted synthetic tetrahedrite Sample: Cu-poor tetrahedrite Cu12.3Sb4S13 ; _database_code_amcsd 0005171 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Cu11.4 S12.77 Sb4' _cell_length_a 10.323 _cell_length_b 10.323 _cell_length_c 10.323 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1100.064 _exptl_crystal_density_diffrn 4.893 _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 0.90000 0.03280 Cu2 0.21800 0.00000 0.00000 1.00000 0.08030 S1 0.11440 0.11440 0.36350 0.99000 0.01887 S2 0.00000 0.00000 0.00000 0.89000 0.02647 Sb 0.26830 0.26830 0.26830 1.00000 0.01748 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 0.03887 0.02969 0.02969 0.00000 0.00000 0.00000 Cu2 0.03347 0.10365 0.10365 0.00000 0.00000 -0.06370 S1 0.01997 0.01997 0.01674 -0.00216 0.00108 0.00108 S2 0.02645 0.02645 0.02645 0.00000 0.00000 0.00000 Sb 0.01728 0.01728 0.01728 -0.00162 -0.00162 -0.00162