data_global _amcsd_formula_title 'Ba Co4.1 Fe3.84 O19 Ti4.06' loop_ _publ_author_name 'Cabanas M' 'Gonzalez-Calbet J' 'Rodriguez-Carvajal J' 'Vallet-Regi M' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 111 _journal_year 1994 _journal_page_first 229 _journal_page_last 237 _publ_section_title ; The solid solution BaFe12-2xCoxTixO19 (0<x<6): cationic distribution by neutron diffraction _cod_database_code 1006065 ; _database_code_amcsd 0013810 _chemical_formula_sum 'Ba Fe5.94 Ti6.28 Co5.78 O19' _cell_length_a 5.9062 _cell_length_b 5.9062 _cell_length_c 23.342 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 705.156 _exptl_crystal_density_diffrn 6.661 _symmetry_space_group_name_H-M 'P 63/m m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x,x-y,1/2-z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' '-y,-x,z' 'y,x,-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x+y,y,1/2-z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x,x-y,z' '-x,-x+y,-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x+y,y,z' 'x-y,-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba1 0.66667 0.33333 0.25000 1.00000 Fe1 0.00000 0.00000 0.00000 0.48000 Ti1 0.00000 0.00000 0.00000 0.52000 Fe2 0.33333 0.66667 0.02500 0.16000 Co1 0.33333 0.66667 0.02500 0.84000 Fe3 0.33333 0.66667 0.18900 0.24000 Co2 0.33333 0.66667 0.18900 0.10000 Ti2 0.33333 0.66667 0.18900 0.66000 Fe4 0.00000 0.00000 0.26070 0.23000 Co3 0.00000 0.00000 0.26070 0.27000 Fe5 0.16667 0.33400 0.89420 0.35000 Co4 0.16667 0.33400 0.89420 0.28000 Ti3 0.16667 0.33400 0.89420 0.37000 O1 0.00000 0.00000 0.15120 1.00000 O2 0.33333 0.66667 -0.05810 1.00000 O3 0.18700 0.37400 0.25000 1.00000 O4 0.15170 0.30340 0.05290 1.00000 O5 0.50000 0.00000 0.15070 1.00000