#------------------------------------------------------------------------------
#$Date: 2016-11-14 10:34:05 +0100 (Mon 14 de Nov de 2016) $
#$Revision: 188426 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/45/1544547.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1544547
loop_
_publ_author_name
'Komatsu, K.'
'Sano-Furukawa, A.'
'Kagi, H.'
_publ_section_title
;
 Effects of Mg and Si ions on the symmetry of delta-AlOOH
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              727
_journal_page_last               733
_journal_volume                  38
_journal_year                    2011
_chemical_formula_sum            'Al H O2'
_chemical_name_common            'AlOOH delta phase'
_chemical_name_mineral           delta-AlOOH
_space_group_IT_number           31
_space_group_name_H-M_alt        'P 21 n m'
_symmetry_space_group_name_Hall  'P -2 2ac'
_symmetry_space_group_name_H-M   'P 21 n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.71247(4)
_cell_length_b                   4.22417(4)
_cell_length_c                   2.83203(2)
_cell_volume                     56.3752(8)
_cod_data_source_file            AlOOH-delta-P21nm-Komatsu2011.cif
_cod_data_source_block           delta-AlOOH
_cod_original_formula_sum        'Al O2 H'
_cod_database_code               1544547
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y, -z+1/2'
'x+1/2, -y, z+1/2'
'x, y, -z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
Al 1.0 0.000000 0.2749(8) 0.000000 Uiso 0.002900 Al
O1 1.0 0.3440(13) 0.4987(7) 0.000000 Uiso 0.002900 O
O2 1.0 0.6470(13) -0.0008(7) 0.000000 Uiso 0.004800 O
H 1.0 0.5166(15) 0.1998(7) 0.000000 Uiso 0.017400 H
