data_global _amcsd_formula_title 'Al2 B2 Na2 O7' loop_ _publ_author_name 'He M' 'Chen X' 'Zhou T' 'Hu B' 'Xu Y' 'Xu T' _journal_name_full 'Journal of Alloys and Compounds' _journal_volume 327 _journal_year 2001 _journal_page_first 210 _journal_page_last 214 _publ_section_title ; Crystal structureand infrared spectra of Li2Al2B2O7 _cod_database_code 1100047 ; _database_code_amcsd 0018235 _chemical_formula_sum 'Al2 B2 Na2 O7' _cell_length_a 4.8113 _cell_length_b 4.8113 _cell_length_c 15.2781 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 306.284 _exptl_crystal_density_diffrn 2.533 _symmetry_space_group_name_H-M 'P -3 1 c' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x-y,-y,1/2+z' 'y,-x+y,-z' '-y,-x,1/2-z' '-x+y,-x,z' '-x,-x+y,1/2+z' '-x,-y,-z' '-x+y,y,1/2-z' '-y,x-y,z' 'y,x,1/2+z' 'x-y,x,-z' 'x,x-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Al 0.33333 0.66667 0.63740 B1 0.33333 0.66667 0.09780 Na1 0.00000 0.00000 0.00000 Na2 0.00000 0.00000 0.25000 O1 0.97040 0.60870 0.89160 O2 0.66660 0.33333 0.25000