data_global
_amcsd_formula_title 'delta-AlOOD'
loop_
_publ_author_name
'Furukawa A S'
'Komatsu K'
'Vanpeteghem C B'
'Ohtani E'
_journal_name_full 'American Mineralogist'
_journal_volume 93 
_journal_year 2008
_journal_page_first 1558
_journal_page_last 1567
_publ_section_title
;
 Neutron diffraction study of delta-AlOOD at high pressure and its implication
 for symmetrization of the hydrogen bond
 Note: P = 4.7 GPa
;
_database_code_amcsd 0004666
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Al O2 (D.744 H.256)'
_cell_length_a 4.6706
_cell_length_b 4.1836
_cell_length_c 2.8129
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 54.964
_exptl_crystal_density_diffrn      3.670
_symmetry_space_group_name_H-M 'P 21 n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,-y,1/2+z'
  'x,y,-z'
  '1/2+x,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Al   0.00000   0.27100   0.00000   1.00000   0.00520
O1   0.33800   0.49800   0.00000   1.00000   0.00630
O2   0.64300   0.00400   0.00000   1.00000   0.00630
D   0.51700   0.20000   0.00000   0.74400   0.01490
H   0.51700   0.20000   0.00000   0.25600   0.01490