#------------------------------------------------------------------------------
#$Date: 2016-11-14 10:34:41 +0100 (Mon 14 de Nov de 2016) $
#$Revision: 188427 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/45/1544548.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_1544548
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            'Al0.84 H Mg0.07 O2 Si0.07'
_chemical_name_common            'AlOOH delta phase'
_chemical_name_mineral           delta-(Al,Mg,Si)OOH
_space_group_IT_number           58
_space_group_name_H-M_alt        'P n n m'
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.70456(5)
_cell_length_b                   4.21232(4)
_cell_length_c                   2.83681(3)
_cell_volume                     56.2174(10)
_cod_data_source_file            AlOOH-delta-Pnnm-Komatsu2011.cif
_cod_data_source_block           delta-(Al,Mg,Si)OOH
_cod_original_formula_sum        'Al0.84 Si0.07 Mg0.07 O2 H'
_cod_database_code               1544548
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, -y, z'
'x, y, -z'
'-x+1/2, 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+1/2, z+1/2'
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
M 0.8400 0.000000 0.000000 0.000000 Uiso 0.006000 Al
M 0.0700 0.000000 0.000000 0.000000 Uiso 0.006000 Mg
M 0.0700 0.000000 0.000000 0.000000 Uiso 0.006000 Si
O 1.0 0.34913(16) 0.2470(4) 0.000000 Uiso 0.006190 O
H 0.5000 0.4835(11) 0.0401(9) 0.000000 Uiso 0.017600 H
