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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/15/1531562.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_1531562
loop_
_publ_author_name
'Kahlenberg, V.'
'Weidenthaler, C.'
_publ_section_title
;
 High-temperature single crystal diffraction study on monobarium gallate -
 the crystal structure of beta-(Ba Ga2 O4)
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              963
_journal_page_last               968
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Ba Ga2 O4'
_chemical_name_systematic        'Ba (Ga2 O4)'
_space_group_IT_number           182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.3925
_cell_length_b                   5.3925
_cell_length_c                   8.9739
_cell_volume                     225.992
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Kahlenberg_SSSCFJ_2002_951.cif
_cod_data_source_block           Ba1Ga2O4
_cod_original_cell_volume        225.9915
_cod_original_formula_sum        'Ba1 Ga2 O4'
_cod_database_code               1531562
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
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
Ga1 Ga+3 0.3333 0.6667 0.0535 1 0.0
O2 O-2 0.349 0 0 0.333 0.0
O1 O-2 0.393 0.786 0.25 1 0.0
Ba1 Ba+2 0 0 0.25 1 0.0
