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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/1/52/83/1528369.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_1528369
loop_
_publ_author_name
'Boorman, P.M.'
'Greenwood, N.N.'
'Whitfield, H.J.'
_publ_section_title
;
 Mixed Bromide-Chloride of Tungsten(VI)
;
_journal_name_full
;
Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)
;
_journal_page_first              2256
_journal_page_last               2258
_journal_volume                  1968
_journal_year                    1968
_chemical_formula_sum            'Br Cl3 O W'
_chemical_name_systematic        'W O Cl3 Br'
_space_group_IT_number           79
_symmetry_space_group_name_Hall  'I 4'
_symmetry_space_group_name_H-M   'I 4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.52
_cell_length_b                   8.52
_cell_length_c                   3.98
_cell_volume                     288.910
_citation_journal_id_ASTM        JCSIAP
_cod_data_source_file            Boorman_JCSIAP_1968_329.cif
_cod_data_source_block           Br1Cl3O1W1
_cod_original_cell_volume        288.9098
_cod_original_formula_sum        'Br1 Cl3 O1 W1'
_cod_database_code               1528369
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+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
Br1 Br-1 0.26 0.063 0.082 0.25 0.0
O1 O-2 0 0 0.55 1 0.0
Cl1 Cl-1 0.26 0.063 0.082 0.75 0.0
W1 W+6 0 0 0 1 0.0
