data_global _chemical_name_mineral 'Diaoyudaoite' loop_ _publ_author_name 'Felsche J' _journal_name_full 'Naturwissenschaften' _journal_volume 54 _journal_year 1967 _journal_page_first 612 _journal_page_last 613 _publ_section_title ; Zur kristallstruktur von beta-aluminiumoxid Note: x,y coordinates of O3 altered to produce a more reasonable structure ; _database_code_amcsd 0014697 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Na Al11 O17' _cell_length_a 5.5962 _cell_length_b 5.5962 _cell_length_c 22.526 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 610.944 _exptl_crystal_density_diffrn 3.217 _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 Na 0.66667 0.33333 0.25000 Al1 0.16667 0.33333 0.60601 Al2 0.33333 0.66667 0.02480 Al3 0.33333 0.66667 0.17580 Al4 0.00000 0.00000 0.00000 O1 0.16667 0.33333 0.04950 O2 0.50000 0.00000 0.14630 O3 0.33333 0.66667 0.55400 O4 0.00000 0.00000 0.14210 O5 0.33333 0.66667 0.25000