#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/46/1524691.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_1524691
loop_
_publ_author_name
'Kihlborg, L.'
'Hussain, A.'
_publ_section_title
;
 Alkali metal location and tungsten off-center displacement in hexagonal
 potassium and cesium tungsten bronzes
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              667
_journal_page_last               674
_journal_volume                  14
_journal_year                    1979
_chemical_formula_sum            'Cs0.22 O3 W'
_chemical_name_systematic        'Cs0.20 W O3'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.4203
_cell_length_b                   7.4203
_cell_length_c                   7.5674
_cell_volume                     360.845
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Kihlborg_MRBUAC_1979_218.cif
_cod_data_source_block           Cs0.22O3W1
_cod_original_cell_volume        360.8446
_cod_original_formula_sum        'Cs0.22 O3 W1'
_cod_database_code               1524691
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
-y,-x,-z
x-y,-y,-z+1/2
x,x-y,-z
y,x,-z+1/2
-x+y,y,-z
-x,-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
y,x,z
-x+y,y,z-1/2
-x,-x+y,z
-y,-x,z-1/2
x-y,-y,z
x,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
W1 W+5 0.4748 0 0.25 1 0.0
O2 O-2 0.424 0.213 0.25 1 0.0
Cs1 Cs+1 0 0 0 0.66 0.0
O1 O-2 0.482 0 0 0.5 0.0
