data_global _chemical_name_mineral 'Diaspore' loop_ _publ_author_name 'Busing W' 'Levy H' _journal_name_full 'Acta Crystallographica' _journal_volume 11 _journal_year 1958 _journal_page_first 798 _journal_page_last 803 _publ_section_title ; A Single Crystal Neutron Diffraction Study of Diaspore, Al O _cod_database_code 1008750 ; _database_code_amcsd 0016629 _chemical_formula_sum 'Al O2 H' _cell_length_a 4.401 _cell_length_b 9.421 _cell_length_c 2.845 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 117.959 _exptl_crystal_density_diffrn 3.378 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Al1 0.04510 -0.14460 0.25000 O1 0.71200 0.19890 0.25000 O2 0.19700 0.05320 0.25000 H1 0.40950 0.08760 0.25000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Al1 0.33362 0.67446 0.12711 0.12603 0.00000 0.00000 O1 0.30418 1.66367 0.04511 -0.21005 0.00000 0.00000 O2 0.27475 1.12410 0.22963 0.10502 0.00000 0.00000 H1 0.84386 7.55394 0.66838 -0.06301 0.00000 0.00000