#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/9/00/84/9008401.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_9008401
loop_
_publ_author_name
'Sowa, H.'
_publ_section_title
;
 The crystal structure of AlAsO4 at high pressure
 Note: P = 0 GPa, in the diamond anvil cell
;
_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                   5.030
_cell_length_b                   5.030
_cell_length_c                   11.234
_cell_formula_units_Z            3
_cell_volume                     246.151
_database_code_amcsd             0011001
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    3.358
_cod_database_code               9008401
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 0.45840 0.00000 0.33333 0.00870
As 0.45760 0.00000 0.83333 0.00750
O1 0.40600 0.29600 0.38640 0.01520
O2 0.40100 0.28400 0.88030 0.01490
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0011001
