data_global
_chemical_name_mineral 'Diaspore'
loop_
_publ_author_name
'Klug A'
'Farkas L'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 7 
_journal_year 1981
_journal_page_first 138
_journal_page_last 140
_publ_section_title
;
 Structural investigations of polycrystalline diaspore samples
 by x-ray powder diffraction
 Note: sample #1
;
_database_code_amcsd 0007345
_chemical_compound_source 'from the Ural Mts., USSR, associated with anatase'
_chemical_formula_sum 'Al O2 H'
_cell_length_a 4.4036
_cell_length_b 9.4286
_cell_length_c 2.8459
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 118.161
_exptl_crystal_density_diffrn      3.372
_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
_atom_site_U_iso_or_equiv
Al   0.04630  -0.14380   0.75000   0.01115
O1   0.71260   0.19850   0.75000   0.01279
O-H2   0.20660   0.05360   0.75000   0.00760