data_global _amcsd_formula_title 'Cu3 Fe0.98 O9.12 Sb Ti0.96' loop_ _publ_author_name 'Mouron P' 'Choisnet J' _journal_name_full 'Materials Research Bulletin' _journal_volume 22 _journal_year 1987 _journal_page_first 1355 _journal_page_last 1362 _publ_section_title ; A new ordered solid solution with a bixbyite structure: The compounds Cu2+x Ti2-x Fe2-x Sbx O9 (0< x < 1.4) _cod_database_code 1001689 ; _database_code_amcsd 0014321 _chemical_formula_sum 'Sb.125 Fe.123 Cu.375 Ti.12 O1.14' _cell_length_a 9.5219 _cell_length_b 9.5219 _cell_length_c 9.5219 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 863.318 _exptl_crystal_density_diffrn 1.075 _symmetry_space_group_name_H-M 'I a 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/2+z,x,1/2-y' '+z,1/2+x,-y' '1/2+z,-x,y' '+z,1/2-x,1/2+y' '-z,x,1/2+y' '1/2-z,1/2+x,+y' '-z,-x,-y' '1/2-z,1/2-x,1/2-y' '1/2+y,1/2-z,-x' '+y,-z,1/2-x' '-y,1/2-z,x' '1/2-y,-z,1/2+x' '1/2-y,z,-x' '-y,1/2+z,1/2-x' 'y,z,x' '1/2+y,1/2+z,1/2+x' 'x,1/2-y,1/2+z' '1/2+x,-y,+z' '-x,y,1/2+z' '1/2-x,1/2+y,+z' 'x,1/2+y,-z' '1/2+x,+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' '1/2-z,-x,1/2+y' '-z,1/2-x,+y' '1/2-z,x,-y' '-z,1/2+x,1/2-y' 'z,-x,1/2-y' '1/2+z,1/2-x,-y' 'z,x,y' '1/2+z,1/2+x,1/2+y' '1/2-y,1/2+z,x' '-y,+z,1/2+x' 'y,1/2+z,-x' '1/2+y,+z,1/2-x' '1/2+y,-z,x' '+y,1/2-z,1/2+x' '-y,-z,-x' '1/2-y,1/2-z,1/2-x' '-x,1/2+y,1/2-z' '1/2-x,+y,-z' 'x,-y,1/2-z' '1/2+x,1/2-y,-z' '-x,1/2-y,z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb1 0.25000 0.25000 0.25000 0.12500 Fe1 0.25000 0.25000 0.25000 0.06250 Cu1 -0.03390 0.00000 0.25000 0.12500 Ti1 -0.03390 0.00000 0.25000 0.04000 Fe2 -0.03390 0.00000 0.25000 0.02000 O1 0.37700 0.17400 0.39600 0.19000