data_global _amcsd_formula_title 'Ba2CrUO6' loop_ _publ_author_name 'Grenet J' 'Michel A' _journal_name_full 'Annales de Chimie' _journal_volume 1971 _journal_year 1971 _journal_page_first 83 _journal_page_last 88 _publ_section_title ; Etude cristallographique des composes Ba2FeUO6 et Ba2CrUO6 _cod_database_code 1001095 ; _database_code_amcsd 0012009 _chemical_formula_sum 'Ba (Cr.5 U.5) O3' _cell_length_a 8.301 _cell_length_b 8.301 _cell_length_c 8.301 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 571.994 _exptl_crystal_density_diffrn 7.672 _symmetry_space_group_name_H-M 'P a 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+z,x,1/2-y' 'z,1/2-x,1/2+y' '1/2-z,1/2+x,y' '-z,-x,-y' '1/2+y,1/2-z,-x' '1/2-y,-z,1/2+x' '-y,1/2+z,1/2-x' 'y,z,x' 'x,1/2-y,1/2+z' '1/2-x,1/2+y,z' '1/2+x,y,1/2-z' '-x,-y,-z' '1/2-z,-x,1/2+y' '-z,1/2+x,1/2-y' '1/2+z,1/2-x,-y' 'z,x,y' '1/2-y,1/2+z,x' '1/2+y,z,1/2-x' 'y,1/2-z,1/2+x' '-y,-z,-x' '-x,1/2+y,1/2-z' '1/2+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 Ba1 0.24200 0.24200 0.24200 1.00000 Cr1 0.50000 0.50000 0.50000 0.96000 U1 0.50000 0.50000 0.50000 0.04000 Cr2 0.00000 0.00000 0.00000 0.04000 U2 0.00000 0.00000 0.00000 0.96000 O1 0.26000 0.01000 0.01000 1.00000