data_global _amcsd_formula_title 'Al2 Ba O4' loop_ _publ_author_name 'Wallmark S' 'Westgren A' _journal_name_full 'Arkiv for Kemi, Mineralogi och Geologi' _journal_volume B12 _journal_year 1937 _journal_page_first 1 _journal_page_last 4 _publ_section_title ; X-Ray Analysis of Barium Aluminates _cod_database_code 1010039 ; _database_code_amcsd 0016975 _chemical_formula_sum 'Ba Al2 O4' _cell_length_a 5.209 _cell_length_b 5.209 _cell_length_c 8.761 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 205.870 _exptl_crystal_density_diffrn 4.118 _symmetry_space_group_name_H-M 'P 63 2 2' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,x-y,1/2-z' 'x-y,x,1/2+z' 'y,x,-z' '-y,x-y,z' '-x+y,y,1/2-z' '-x,-y,1/2+z' '-x,-x+y,-z' '-x+y,-x,z' '-y,-x,1/2-z' 'y,-x+y,1/2+z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ba1 0.00000 0.00000 0.25000 Al1 0.33333 0.66667 0.05000 O1 0.33333 0.66667 0.25000 O2 0.66667 0.00000 0.00000