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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/14/1511439.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_1511439
loop_
_publ_author_name
'Barbier, J.'
'Park, H.-S.'
_publ_section_title
;
 Crystal structures of the new borate fluorides Ba M B O3 F2 (M = Ga, Al)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              354
_journal_page_last               358
_journal_paper_doi               10.1006/jssc.2000.8924
_journal_volume                  155
_journal_year                    2000
_chemical_formula_sum            'B Ba F2 Ga O3'
_chemical_name_systematic        'Ba Ga (B O3) F2'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.907
_cell_length_b                   4.907
_cell_length_c                   9.62
_cell_volume                     200.603
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron0-1_62.cif
_cod_data_source_block           B1Ba1F2Ga1O3
_cod_original_cell_volume        200.6032
_cod_original_formula_sum        'B1 Ba1 F2 Ga1 O3'
_cod_database_code               1511439
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
-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
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 0.25 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
B1 B+3 0.6667 0.3333 0.25 1 0.0
F1 F-1 0.3333 0.6667 0.0457 1 0.0
O1 O-2 0.3775 0.3114 0.25 1 0.0
