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#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/84/9008402.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_9008402
loop_
_publ_author_name
'Sowa, H.'
_publ_section_title
;
 The crystal structure of AlAsO4 at high pressure
 Note: P = 1.81 GPa
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              291
_journal_page_last               304
_journal_volume                  194
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al As O4'
_chemical_name_mineral           Alarsite
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.945
_cell_length_b                   4.945
_cell_length_c                   11.135
_cell_formula_units_Z            3
_cell_volume                     235.805
_database_code_amcsd             0011002
_diffrn_ambient_pressure         1.81e+06
_exptl_crystal_density_diffrn    3.505
_cod_database_code               9008402
loop_
_space_group_symop_operation_xyz
x,y,z
y,x,-z
-y,x-y,1/3+z
-x,-x+y,1/3-z
-x+y,-x,2/3+z
x-y,-y,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Al 0.45290 0.00000 0.33333 0.01170
As 0.45170 0.00000 0.83333 0.00820
O1 0.40300 0.30500 0.38370 0.01300
O2 0.39500 0.29400 0.87740 0.01400
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0011002