#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/83/1538317.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_1538317
loop_
_publ_author_name
'Magneli, A.'
_publ_section_title
;
 Crystal structure studies on beta-tungsten oxide
;
_journal_name_full               'Arkiv foer Kemi'
_journal_page_first              513
_journal_page_last               523
_journal_volume                  1
_journal_year                    1949
_chemical_formula_sum            'O2.9 W'
_chemical_name_systematic        'W O2.90'
_space_group_IT_number           10
_symmetry_space_group_name_Hall  '-P 2y'
_symmetry_space_group_name_H-M   'P 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95
_cell_angle_gamma                90
_cell_formula_units_Z            20
_cell_length_a                   12.1
_cell_length_b                   3.78
_cell_length_c                   23.4
_cell_volume                     1066.197
_citation_journal_id_ASTM        ARKEAD
_cod_data_source_file            Magneli_ARKEAD_1949_229.cif
_cod_data_source_block           O2.9W1
_cod_original_formula_sum        'O2.9 W1'
_cod_database_code               1538317
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
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
O17 O-2 0.918 0.5 0.103 1 0.0
O1 O-2 0.353 0 0.026 1 0.0
O14 O-2 0.71 0.5 0.051 1 0.0
O2 O-2 0.063 0 0.077 1 0.0
O23 O-2 0.257 0.5 0.306 1 0.0
O22 O-2 0.546 0.5 0.255 1 0.0
W1 W+5 0.353 0.5 0.026 1 0.0
O13 O-2 0.208 0.5 0.052 1 0.0
W7 W+5 0.61 0.5 0.331 1 0.0
O6 O-2 0.903 0 0.28 1 0.0
W5 W+5 0.192 0.5 0.229 1 0.0
W9 W+5 0.03 0.5 0.432 1 0.0
O28 O-2 0.675 0.5 0.407 1 0.0
O10 O-2 0.74 0 0.483 1 0.0
O9 O-2 0.03 0 0.432 1 0.0
O3 O-2 0.773 0 0.128 1 0.0
W4 W+5 0.481 0.5 0.178 1 0.0
O16 O-2 0.128 0.5 0.153 1 0.0
O12 O-2 0.5 0.5 0 1 0.0
O29 O-2 0.395 0.5 0.475 1 0.0
O19 O-2 0.337 0.5 0.204 1 0.0
W10 W+5 0.74 0.5 0.483 1 0.0
O4 O-2 0.481 0 0.178 1 0.0
O8 O-2 0.322 0 0.382 1 0.0
O11 O-2 0 0.5 0 1 0.0
O24 O-2 0.757 0.5 0.306 1 0.0
O18 O-2 0.627 0.5 0.153 1 0.0
O27 O-2 0.967 0.5 0.356 1 0.0
O20 O-2 0.048 0.5 0.255 1 0.0
O25 O-2 0.466 0.5 0.357 1 0.0
W3 W+5 0.773 0.5 0.128 1 0.0
W8 W+5 0.322 0.5 0.382 1 0.0
O7 O-2 0.61 0 0.331 1 0.0
O5 O-2 0.192 0 0.229 1 0.0
O26 O-2 0.187 0.5 0.422 1 0.0
O21 O-2 0.838 0.5 0.204 1 0.0
W6 W+5 0.903 0.5 0.28 1 0.0
O30 O-2 0.1 0.5 0.526 1 0.0
W2 W+5 0.063 0.5 0.077 1 0.0
O15 O-2 0.417 0.5 0.102 1 0.0
