data_global
_amcsd_formula_title 'delta-AlOOH'
loop_
_publ_author_name
'Kudoh Y'
'Kuribayashi T'
'Suzuki A'
'Ohtani E'
'Kamada T'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 31 
_journal_year 2004
_journal_page_first 360
_journal_page_last 364
_publ_section_title
;
 Space group and hydrogen sites of delta-AlOOH and implications
 for a hypothetical high-pressure form of Mg(OH)2
;
_database_code_amcsd 0008865
_chemical_formula_sum '(Al.84 Si.09 Mg.07) O2 H'
_cell_length_a 4.6975
_cell_length_b 4.2060
_cell_length_c 2.8327
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 55.968
_exptl_crystal_density_diffrn      3.554
_symmetry_space_group_name_H-M 'P n n 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '-x,-y,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   0.50000   0.00000   0.84000   0.00570
Si   0.00000   0.50000   0.00000   0.09000   0.00570
Mg   0.00000   0.50000   0.00000   0.07000   0.00570
O   0.35000   0.74720   0.01030   1.00000   0.00583
H1   0.55800   0.51100   0.96200   0.30000   0.02584
H2   0.01500   0.74900   0.49500   0.20000   0.00127
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Al 0.00530 0.00720 0.00440 0.00070 0.00000 0.00000
Si 0.00530 0.00720 0.00440 0.00070 0.00000 0.00000
Mg 0.00530 0.00720 0.00440 0.00070 0.00000 0.00000
O 0.00660 0.00360 0.00710 0.00080 0.00500 0.00050