data_1009038 _chemical_name_systematic 'Barium dodecairon(III) oxide' _chemical_formula_structural 'Ba Fe12 O19' _chemical_formula_sum 'Ba Fe12 O19' _publ_section_title ; Etude de la substitution de Fe par Al, Ga et Cr dans l'hexaferrite de baryum, Ba O, (Fe2 O3)6 ; loop_ _publ_author_name 'Bertaut, F' 'Deschamps, A' 'Pauthenet, R' _journal_name_full ; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) ; _journal_coden_ASTM COREAF _journal_volume 246 _journal_year 1958 _journal_page_first 2594 _journal_page_last 2597 _cell_length_a 5.889 _cell_length_b 5.889 _cell_length_c 23.18199 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 696.2 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'P 63/m m c' _symmetry_Int_Tables_number 194 _symmetry_cell_setting hexagonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-y,x-y,z' 'y-x,-x,z' '-y,-x,z' 'y-x,y,z' 'x,x-y,z' '-x,-y,-z' 'y,y-x,-z' 'x-y,x,-z' 'y,x,-z' 'x-y,-y,-z' '-x,y-x,-z' '-x,-y,1/2+z' 'y,y-x,1/2+z' 'x-y,x,1/2+z' 'y,x,1/2+z' 'x-y,-y,1/2+z' '-x,y-x,1/2+z' 'x,y,1/2-z' '-y,x-y,1/2-z' 'y-x,-x,1/2-z' '-y,-x,1/2-z' 'y-x,y,1/2-z' 'x,x-y,1/2-z' loop_ _atom_type_symbol _atom_type_oxidation_number Ba2+ 2.000 Fe3+ 3.000 O2- -2.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Ba1 Ba2+ 2 d 0.6667 0.3333 0.25 1. 0 d Fe1 Fe3+ 2 a 0. 0. 0. 1. 0 d Fe2 Fe3+ 4 e 0. 0. 0.257 0.5 0 d Fe3 Fe3+ 4 f 0.3333 0.6667 0.027 1. 0 d Fe4 Fe3+ 4 f 0.3333 0.6667 0.19 1. 0 d Fe5 Fe3+ 12 k 0.169 0.338 -0.108 1. 0 d O1 O2- 12 k -1. -1. -1. 3.17 0 dum