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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/1/53/08/1530892.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_1530892
loop_
_publ_author_name
'Torardi, C.C.'
'Brixner, L.H.'
_publ_section_title
;
 Structure and luminescence of Ba2 W O3 F4
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              137
_journal_page_last               145
_journal_volume                  20
_journal_year                    1985
_chemical_formula_sum            'Ba2 F4 O3 W'
_chemical_name_systematic        'Ba2 W O3 F4'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'I -2ya'
_symmetry_space_group_name_H-M   'I 1 a 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.48
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.281
_cell_length_b                   9.361
_cell_length_c                   7.183
_cell_volume                     623.471
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Torardi_MRBUAC_1985_1081.cif
_cod_data_source_block           Ba2F4O3W1
_cod_original_cell_volume        623.4705
_cod_original_sg_symbol_Hall     'C -2yc (x+z,y,-x)'
_cod_original_formula_sum        'Ba2 F4 O3 W1'
_cod_database_code               1530892
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,z
x+1/2,y+1/2,z+1/2
x+1,-y+1/2,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
Ba2 Ba+2 0.2413 0.9234 0.9965 1 0.0
F1 F-1 0.725 0.8364 0.7529 1 0.0
F2 F-1 0.0049 0.9179 0.7224 1 0.0
O2 O-2 0.9061 0.6893 0.5327 1 0.0
W1 W+6 0.9146 0.7363 0.7816 1 0.0
Ba1 Ba+2 0.0352 0.3699 0.9547 1 0.0
F3 F-1 0.3543 0.7891 0.7213 1 0.0
O3 O-2 0.0941 0.6588 0.8382 1 0.0
O1 O-2 0.8167 0.5694 0.8424 1 0.0
F4 F-1 0.0381 0.1013 0.0821 1 0.0
