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