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#$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $
#$Revision: 85285 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/08/9010883.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9010883
loop_
_publ_author_name
'Friedrich, A.'
'Wilson, D. J.'
'Haussuhl, E.'
'Winkler, B.'
'Morgenroth, W.'
'Refson, K.'
'Milman, V.'
_publ_section_title
;
 High-pressure properties of diaspore, AlO(OH)
 Sample: p = 3.41 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              145
_journal_page_last               157
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Al H O2'
_chemical_name_mineral           Diaspore
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.354
_cell_length_b                   9.369
_cell_length_c                   2.8281
_cell_volume                     115.366
_exptl_crystal_density_diffrn    3.454
_[local]_cod_chemical_formula_sum_orig 'Al O2 H'
_cod_database_code               9010883
loop_
_symmetry_equiv_pos_as_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 0.04480 0.85680 0.25000 0.00900
O1 0.70900 0.20000 0.25000 0.00900
O2 0.20000 0.05500 0.25000 0.00800
H 0.39000 0.10000 0.25000 0.03000