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#$Date: 2022-09-14 18:07:06 +0300 (Wed, 14 Sep 2022) $
#$Revision: 277832 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/04/1010430.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_1010430
loop_
_publ_author_name
'Machatschki, F.'
_publ_section_title
;
Die Kristallstruktur von Tiefquarz Si O~2~ und Aluminiumorthoarsenat Al
As O~4~
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              222
_journal_page_last               230
_journal_volume                  94
_journal_year                    1936
_chemical_formula_structural     'Al As O4'
_chemical_formula_sum            'Al As O4'
_chemical_name_systematic        'Aluminium arsenate'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      152
_symmetry_space_group_name_H-M   'P 31 2 1 S'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.03
_cell_length_b                   5.03
_cell_length_c                   11.22
_cell_volume                     245.8
_cod_database_code               1010430
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,1/3+z
y-x,-x,2/3+z
y,x,1/3-z
-x,y-x,2/3-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Al1 Al3+ 3 a 0.456(8) 0. 0. 1. 0 d
As1 As5+ 3 b 0.456(5) 0. 0.5 1. 0 d
O1 O2- 6 c 0.406(8) 0.275(8) 0.067(8) 1. 0 d
O2 O2- 6 c 0.406(8) 0.275(8) 0.567(8) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Al3+ 3.000
As5+ 5.000
O2- -2.000