data_global _amcsd_formula_title 'Ca8[Al12O24](CrO4)2' loop_ _publ_author_name 'Antao S M' 'Hassan I' 'Parise J B' _journal_name_full 'The Canadian Mineralogist' _journal_volume 42 _journal_year 2004 _journal_page_first 1047 _journal_page_last 1056 _publ_section_title ; Chromate aluminate sodalite, Ca8[Al12O24](CrO4)2: Phase transitions and high-temperature structural evolution of the cubic phase Sample: T = 869 C ; _database_code_amcsd 0005970 _chemical_formula_sum 'Ca4 Al6 Cr O16' _cell_length_a 9.24421 _cell_length_b 9.24421 _cell_length_c 9.24421 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 789.968 _exptl_crystal_density_diffrn 2.649 _symmetry_space_group_name_H-M 'I -4 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-z,x,-y' '1/2-z,1/2+x,1/2-y' '-y,z,-x' '1/2-y,1/2+z,1/2-x' '-x,y,-z' '1/2-x,1/2+y,1/2-z' 'x,-z,-y' '1/2+x,1/2-z,1/2-y' 'z,-y,-x' '1/2+z,1/2-y,1/2-x' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' 'x,z,y' '1/2+x,1/2+z,1/2+y' 'z,y,x' '1/2+z,1/2+y,1/2+x' 'y,x,z' '1/2+y,1/2+x,1/2+z' '-z,-x,y' '1/2-z,1/2-x,1/2+y' '-y,-z,x' '1/2-y,1/2-z,1/2+x' '-x,-y,z' '1/2-x,1/2-y,1/2+z' 'z,-x,-y' '1/2+z,1/2-x,1/2-y' 'y,-z,-x' '1/2+y,1/2-z,1/2-x' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,z,-y' '1/2-x,1/2+z,1/2-y' '-z,y,-x' '1/2-z,1/2+y,1/2-x' '-y,x,-z' '1/2-y,1/2+x,1/2-z' '-x,-z,y' '1/2-x,1/2-z,1/2+y' '-z,-y,x' '1/2-z,1/2-y,1/2+x' '-y,-x,z' '1/2-y,1/2-x,1/2+z' 'z,x,y' '1/2+z,1/2+x,1/2+y' 'y,z,x' '1/2+y,1/2+z,1/2+x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Ca 0.21770 0.21770 0.21770 1.00000 0.06570 Al 0.25000 0.50000 0.00000 1.00000 0.01320 Cr 0.00000 0.00000 0.00000 1.00000 0.09060 O 0.15900 0.15900 0.45750 1.00000 0.05560 OCr 0.12570 0.12570 -0.03030 0.33333 0.09060