data_global _amcsd_formula_title 'Al23 Na O35' loop_ _publ_author_name 'Bragg W' 'Gottfried C' 'West J' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 77 _journal_year 1931 _journal_page_first 197 _journal_page_last 214 _publ_section_title ; The Structure of beta-Alumina _cod_database_code 1010104 ; _database_code_amcsd 0017037 _chemical_formula_sum 'Na.5 Al11.5 O17.5' _cell_length_a 5.56 _cell_length_b 5.56 _cell_length_c 22.55 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 603.708 _exptl_crystal_density_diffrn 3.310 _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 Na1 0.00000 0.00000 0.25000 0.50000 Al1 0.00000 0.00000 0.00000 0.50000 Al2 0.33333 0.66667 0.02200 1.00000 Al3 0.33333 0.16667 0.10600 1.00000 Al4 0.33333 0.66667 0.17800 0.75000 Al5 0.66667 0.33333 0.17800 0.75000 O1 0.16667 0.33333 0.05000 1.00000 O2 0.66667 0.33333 0.05000 1.00000 O3 0.00000 0.00000 0.14400 1.00000 O4 0.50000 0.50000 0.14400 1.00000 O5 0.33333 0.66667 0.25000 0.75000 O6 0.66667 0.33333 0.25000 0.75000