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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/1/52/89/1528983.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_1528983
loop_
_publ_author_name
'Whittle, K.R.'
'Ashbrook, S.E.'
'Lumpkin, G.R.'
_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 W1.5 Zr0.5'
_chemical_name_systematic        'Cs Zr0.5 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                   10.38175
_cell_length_b                   10.38175
_cell_length_c                   10.38175
_cell_volume                     1118.953
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Whittle_JSSCBI_2006_921.cif
_cod_data_source_block           Cs1O6W1.5Zr0.5
_cod_original_formula_sum        'Cs1 O6 W1.5 Zr0.5'
_cod_database_code               1528983
loop_
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x,y,z
-y,x+1/4,z+1/4
-x+3/4,-y+1/4,z+1/2
y+3/4,-x,z+3/4
x,-y+1/4,-z+1/4
y+3/4,x+1/4,-z+1/2
-x+3/4,y,-z+3/4
-y,-x,-z
z,x,y
-x,z+1/4,y+1/4
-z+3/4,-x+1/4,y+1/2
x+3/4,-z,y+3/4
z,-x+1/4,-y+1/4
x+3/4,z+1/4,-y+1/2
-z+3/4,x,-y+3/4
-x,-z,-y
y,z,x
y+1/2,-z+3/4,-x+1/4
z+1/4,y+3/4,-x+1/2
-y+1/4,z+1/2,-x+3/4
-z,-y+1/2,-x+1/2
-y+1/4,-z+1/4,x
z+1/4,-y,x+1/4
-z+1/2,y+1/4,x+3/4
-x,-y,-z
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x-3/4,y-1/4,-z-1/2
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-x,y-1/4,z-1/4
-y-3/4,-x-1/4,z-1/2
x-3/4,-y,z-3/4
y,x,z
-z,-x,-y
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x,z,y
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y-1/4,-z-1/2,x-3/4
z,y-1/2,x-1/2
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x,y+1/2,z+1/2
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y,z+1/2,x+1/2
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-z+1/2,y+3/4,x+5/4
-x,-y+1/2,-z+1/2
y,-x+1/4,-z+1/4
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-y-3/4,x+1/2,-z-1/4
-x,y+1/4,z+1/4
-y-3/4,-x+1/4,z
x-3/4,-y+1/2,z-1/4
y,x+1/2,z+1/2
-z,-x+1/2,-y+1/2
x,-z+1/4,-y+1/4
z-3/4,x+1/4,-y
-x-3/4,z+1/2,-y-1/4
-z,x+1/4,y+1/4
-x-3/4,-z+1/4,y
z-3/4,-x+1/2,y-1/4
x,z+1/2,y+1/2
-y,-z+1/2,-x+1/2
-y-1/2,z-1/4,x+1/4
-z-1/4,-y-1/4,x
y-1/4,-z,x-1/4
z,y,x
y-1/4,z+1/4,-x+1/2
-z-1/4,y+1/2,-x+1/4
z-1/2,-y+1/4,-x-1/4
x+1/2,y,z+1/2
-y+1/2,x+1/4,z+3/4
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z+1/2,x,y+1/2
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x+5/4,z+1/4,-y+1
-z+5/4,x,-y+5/4
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z+1/2,y-1/2,x
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z+1/2,x+1/2,y
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z+3/4,-y+1/2,x+1/4
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x-1/4,-y+1/2,z-3/4
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z-1/4,x+1/4,-y-1/2
-x-1/4,z+1/2,-y-3/4
-z+1/2,x+1/4,y-1/4
-x-1/4,-z+1/4,y-1/2
z-1/4,-x+1/2,y-3/4
x+1/2,z+1/2,y
-y+1/2,-z+1/2,-x
-y,z-1/4,x-1/4
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y+1/4,-z,x-3/4
z+1/2,y,x-1/2
y+1/4,z+1/4,-x
-z+1/4,y+1/2,-x-1/4
z,-y+1/4,-x-3/4
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
Cs1 Cs+1 0.119 0.119 0.119 0.25 0.0
O1 O-2 0.4376 0.125 0.125 1 0.0
Zr1 Zr+4 0.5 0.5 0.5 0.25 0.0
