data_global _chemical_name_mineral 'Cuproiridsite' loop_ _publ_author_name 'Furubayashi T' 'Matsumoto T' 'Hagino T' 'Nagata S' _journal_name_full 'Journal of the Physical Society of Japan' _journal_volume 63 _journal_year 1994 _journal_page_first 3333 _journal_page_last 3339 _publ_section_title ; Structural and magnetic studies of metal-insulator transition in thiospinel CuIr2S4 Sample: T = 10 K, low temperature form ; _database_code_amcsd 0014172 _chemical_formula_sum 'Cu Ir2 S4' _cell_length_a 6.8645 _cell_length_b 6.8645 _cell_length_c 10.0257 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 472.425 _exptl_crystal_density_diffrn 8.102 _symmetry_space_group_name_H-M 'I 41/a m d' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-y,1/2-x,1/4+z' '1/2-y,-x,3/4+z' '1/2+y,1/2+x,1/2-z' '+y,+x,-z' '1/2+y,1/2-x,1/2-z' '+y,-x,-z' '-y,1/2+x,1/4+z' '1/2-y,+x,3/4+z' '1/2+x,1/2-y,1/2+z' '+x,-y,+z' '1/2-x,y,3/4-z' '-x,1/2+y,1/4-z' '1/2+x,y,3/4-z' '+x,1/2+y,1/4-z' '1/2-x,1/2-y,1/2+z' '-x,-y,+z' '1/2+y,x,3/4+z' '+y,1/2+x,1/4+z' '-y,-x,-z' '1/2-y,1/2-x,1/2-z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' '1/2+y,-x,3/4+z' '+y,1/2-x,1/4+z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,1/2-y,1/4-z' '1/2+x,-y,3/4-z' '-x,1/2-y,1/4-z' '1/2-x,-y,3/4-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cu 0.00000 0.00000 0.00000 0.00380 Ir 0.00000 0.25000 0.62500 0.00507 S 0.00000 0.23800 0.39100 0.00380