data_global _chemical_name_mineral 'Kieftite' loop_ _publ_author_name 'Dobbe R T M' 'Lustenhouwer W J' 'Zakrzewski M A' 'Goubitz K' 'Fraanje J' 'Schenk H' _journal_name_full 'The Canadian Mineralogist' _journal_volume 32 _journal_year 1994 _journal_page_first 179 _journal_page_last 183 _publ_section_title ; Kieftite, CoSb3, a new member of the skutterudite group from Tunaberg, Sweden ; _database_code_amcsd 0005362 _chemical_compound_source 'Tunaberg, Sweden' _chemical_formula_sum '(Co.91 Ni.05 Fe.02 Cu.02) (Sb2.97 Cl.03)' _cell_length_a 9.0411 _cell_length_b 9.0411 _cell_length_c 9.0411 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 739.033 _exptl_crystal_density_diffrn 7.579 _symmetry_space_group_name_H-M 'I m 3' 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' 'z,-x,y' '1/2+z,1/2-x,1/2+y' '-z,x,y' '1/2-z,1/2+x,1/2+y' '-z,-x,-y' '1/2-z,1/2-x,1/2-y' 'y,-z,-x' '1/2+y,1/2-z,1/2-x' '-y,-z,x' '1/2-y,1/2-z,1/2+x' '-y,z,-x' '1/2-y,1/2+z,1/2-x' '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,y,z' '1/2-x,1/2+y,1/2+z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' '-z,-x,y' '1/2-z,1/2-x,1/2+y' '-z,x,-y' '1/2-z,1/2+x,1/2-y' 'z,-x,-y' '1/2+z,1/2-x,1/2-y' 'z,x,y' '1/2+z,1/2+x,1/2+y' '-y,z,x' '1/2-y,1/2+z,1/2+x' 'y,z,-x' '1/2+y,1/2+z,1/2-x' 'y,-z,x' '1/2+y,1/2-z,1/2+x' '-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,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co 0.25000 0.25000 0.25000 0.91000 Ni 0.25000 0.25000 0.25000 0.05000 Fe 0.25000 0.25000 0.25000 0.02000 Cu 0.25000 0.25000 0.25000 0.02000 Sb 0.00000 0.33520 0.15750 0.99000 Cl 0.00000 0.33520 0.15750 0.01000 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 Co -0.03500 -0.03500 -0.03500 0.01400 0.00140 0.01400 Ni -0.03500 -0.03500 -0.03500 0.01400 0.00140 0.01400 Fe -0.03500 -0.03500 -0.03500 0.01400 0.00140 0.01400 Cu -0.03500 -0.03500 -0.03500 0.01400 0.00140 0.01400 Sb -0.03540 0.02970 -0.03210 0.00000 0.00000 0.00100 Cl -0.03540 0.02970 -0.03210 0.00000 0.00000 0.00100