data_global _chemical_name_mineral 'Bohmite' loop_ _publ_author_name 'Wyckoff R W G' _journal_name_full 'Crystal Structures' _journal_volume 1 _journal_year 1963 _journal_page_first 290 _journal_page_last 295 _publ_section_title ; Second edition. Interscience Publishers, New York, New York ; _database_code_amcsd 0011834 _chemical_formula_sum 'Al O2 H' _cell_length_a 12.227 _cell_length_b 3.700 _cell_length_c 2.866 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 129.658 _exptl_crystal_density_diffrn 3.073 _symmetry_space_group_name_H-M 'B b m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,y,1/2+z' '-x,1/2+y,z' '1/2-x,1/2+y,1/2+z' 'x,1/2-y,-z' '1/2+x,1/2-y,1/2-z' 'x,y,-z' '1/2+x,y,1/2-z' '-x,-y,z' '1/2-x,-y,1/2+z' 'x,1/2-y,z' '1/2+x,1/2-y,1/2+z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2-z' '-x,-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 Al -0.16600 0.25000 0.00000 O 0.21300 0.25000 0.00000 O-H 0.43300 0.25000 0.00000