data_global _chemical_name_mineral 'Bohmite' loop_ _publ_author_name 'Bokhimi X' 'Sanchez-Valente J' 'Pedraza F' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 166 _journal_year 2002 _journal_page_first 182 _journal_page_last 190 _publ_section_title ; Crystallization of sol-gel boehmite via hydrothermal annealing Sample: annealed t = 3 days, T = 473 K ; _database_code_amcsd 0014025 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Al O2 H' _cell_length_a 2.8656 _cell_length_b 12.226 _cell_length_c 3.6886 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 129.229 _exptl_crystal_density_diffrn 3.083 _symmetry_space_group_name_H-M 'C m c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,y,1/2-z' '1/2+x,1/2+y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Al 0.00000 -0.31720 0.25000 O1 0.00000 0.29020 0.25000 O-H2 0.00000 0.07870 0.25000