#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/42/8104291.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_8104291
loop_
_publ_author_name
'Baumgartner, O.'
'Preisinger, A.'
'Behmer, M.'
_publ_section_title
;
 Die Kristallstruktur von Al As O4 bei 20 C, 500 C und 750 C
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              125
_journal_page_last               131
_journal_volume                  187
_journal_year                    1989
_chemical_formula_sum            'Al As O4'
_chemical_name_systematic        'Al (As O4)'
_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_formula_units_Z            3
_cell_length_a                   5.067
_cell_length_b                   5.067
_cell_length_c                   11.258
_cell_volume                     250.319
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Baumgartner_ZEKRDZ_1989_1956.cif
_cod_data_source_block           Al1As1O4
_cod_original_cell_volume        250.3189
_cod_original_formula_sum        'Al1 As1 O4'
_cod_database_code               8104291
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+1/3
-x+y,-x,z+2/3
y,x,-z
-x,-x+y,-z+1/3
x-y,-y,-z+2/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.4124 0.2921 0.3885 1 0.0
As1 As+5 0.4611 0 0.8333 1 0.0
O2 O-2 0.4101 0.2813 0.8818 1 0.0
Al1 Al+3 0.4615 0 0.3333 1 0.0
