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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/1/52/89/1528985.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_1528985
loop_
_publ_author_name
'Whittle, K.R.'
'Lumpkin, G.R.'
'Ashbrook, S.E.'
_publ_section_title
;
 Neutron diffraction and MAS NMR of cesium tungstate defect pyrochlores
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              512
_journal_page_last               521
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Cs O6 Ti0.25 W1.5 Zr0.25'
_chemical_name_systematic        'Cs Ti0.25 Zr0.25 W1.5 O6'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.3403
_cell_length_b                   10.3403
_cell_length_c                   10.3403
_cell_volume                     1105.604
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Whittle_JSSCBI_2006_923.cif
_cod_data_source_block           Cs1O6Ti0.25W1.5Zr0.25
_cod_original_cell_volume        1105.603
_cod_original_formula_sum        'Cs1 O6 Ti0.25 W1.5 Zr0.25'
_cod_database_code               1528985
loop_
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-y,-x,-z
z,x,y
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-z,x+1/4,y+1/4
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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+6 0.5 0.5 0.5 0.75 0.0
Zr1 Zr+4 0.5 0.5 0.5 0.125 0.0
O1 O-2 0.43804 0.125 0.125 1 0.0
Ti1 Ti+4 0.5 0.5 0.5 0.125 0.0
Cs1 Cs+1 0.118 0.118 0.118 0.25 0.0
