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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/37/8103754.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_8103754
loop_
_publ_author_name
'Kahlenberg, V.'
'Parise, J.B.'
'Tripathi, A.'
'Lee, Y.'
_publ_section_title
;
 Characterization of the stuffed framework structures Ba Al Ga O4 and Ba
 Fe Ga O4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              249
_journal_page_last               255
_journal_volume                  217
_journal_year                    2002
_chemical_formula_sum            'Al Ba Ga O4'
_chemical_name_systematic        'Ba (Al Ga 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                   5.2788
_cell_length_b                   5.2788
_cell_length_c                   8.7835
_cell_volume                     211.967
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Kahlenberg_ZEKRDZ_2002_1056.cif
_cod_data_source_block           Al1Ba1Ga1O4
_cod_original_cell_volume        211.9672
_cod_original_formula_sum        'Al1 Ba1 Ga1 O4'
_cod_database_code               8103754
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
Al1 Al+3 0.3333 0.6667 0.0536 0.5 0.0
Ga1 Ga+3 0.3333 0.6667 0.0536 0.5 0.0
O2 O-2 0.644 0 0 1 0.0
Ba1 Ba+2 0 0 0.75 1 0.0
O1 O-2 0.285 0.715 0.25 0.333 0.0
