data_global
_chemical_name_mineral 'Bohmite'
loop_
_publ_author_name
'Christensen A N'
'Lehmann M S'
'Convert P'
_journal_name_full 'Acta Chemica Scandinavica A'
_journal_volume 36 
_journal_year 1982
_journal_page_first 303
_journal_page_last 308
_publ_section_title
;
 Deuteration of crystalline hydroxides.
 Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D)
;
_database_code_amcsd 0020686
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Al O2 H'
_cell_length_a 2.876
_cell_length_b 12.24
_cell_length_c 3.709
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 130.565
_exptl_crystal_density_diffrn      3.052
_symmetry_space_group_name_H-M 'C m c 21'
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,z'
  '1/2-x,1/2+y,z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Al   0.00000  -0.31660   0.25000   0.00203
O1   0.00000   0.29010   0.23130   0.00203
O2   0.00000   0.08180   0.23440   0.00203
H   0.50000   0.52020   0.38040   0.00203