#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/73/2107312.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107312
loop_
_publ_author_name
'Salje, E.'
_publ_section_title
;
 The orthorhombic phase of W O3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              574
_journal_page_last               577
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'O3 W'
_chemical_name_systematic        'W O3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.57
_cell_length_b                   7.341
_cell_length_c                   7.754
_cell_volume                     430.900
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Salje_ACBCAR_1977_319.cif
_cod_data_source_block           O3W1
_cod_original_cell_volume        430.9004
_cod_original_formula_sum        'O3 W1'
_cod_database_code               2107312
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
O5 O 0.004 0.25 0.738 1 0.0
O1 O 0 0 0 1 0.0
O2 O 0 0 0.5 1 0.0
O6 O 0.015 0.25 0.224 1 0.0
O3 O 0.269 0.25 0.973 1 0.0
W2 W 0.03 0.25 0.468 1 0.0
W1 W 0.029 0.25 0.969 1 0.0
O4 O 0.278 0.25 0.529 1 0.0
