data_global _amcsd_formula_title 'Ba Co6.01 O19 Ti5.99' 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 1006066 ; _database_code_amcsd 0013811 _chemical_formula_sum 'Ba Co6.01 Ti5.99 O19' _cell_length_a 5.9174 _cell_length_b 5.9174 _cell_length_c 23.368 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 708.621 _exptl_crystal_density_diffrn 5.072 _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 Co1 0.00000 0.00000 0.00000 0.17000 Ti1 0.00000 0.00000 0.00000 0.83000 Co2 0.33333 0.66667 0.02510 1.00000 Co3 0.33333 0.66667 0.19120 0.17000 Ti2 0.33333 0.66667 0.19120 0.83000 Co4 0.00000 0.00000 0.25400 0.40000 Ti3 0.00000 0.00000 0.25400 0.10000 Co5 0.17300 0.34600 0.89180 0.45000 Ti4 0.17300 0.34600 0.89180 0.55000 O1 0.00000 0.00000 0.15080 1.00000 O2 0.33333 0.66667 -0.05810 1.00000 O3 0.18730 0.37460 0.25000 1.00000 O4 0.14980 0.29960 0.05240 1.00000 O5 0.50000 0.00000 0.15060 1.00000