#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/89/1528923.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_1528923
loop_
_publ_author_name
'Thorogood, G.J.'
'Luca, V.'
'Peterson, V.K.'
'Kennedy, B.J.'
'Kearley, G.J.'
'Elcombe, M.M.'
'Hanna, J.V.'
_publ_section_title
;
 Anomalous lattice parameter increase in alkali earth aluminium
 substituted tungsten defect pyrochlores
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              457
_journal_page_last               464
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'Al0.33 Cs O6 W1.67'
_chemical_name_systematic        'Cs Al0.33 W1.67 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                   10.207
_cell_length_b                   10.207
_cell_length_c                   10.207
_cell_volume                     1063.394
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Thorogood_JSSCBI_2009_1696.cif
_cod_data_source_block           Al0.33Cs1O6W1.67
_cod_original_formula_sum        'Al0.33 Cs1 O6 W1.67'
_cod_database_code               1528923
loop_
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x,y,z
-y,x+1/4,z+1/4
-x+3/4,-y+1/4,z+1/2
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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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-x,y+1/4,z+1/4
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-z,x+1/4,y+1/4
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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
Al1 Al+3 0 0 0 0.165 0.0
O1 O-2 0.3106 0.125 0.125 1 0.0
Cs1 Cs+1 0.3618 0.3618 0.3618 0.25 0.0
W1 W+6 0 0 0 0.835 0.0
