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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/56/1525611.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_1525611
loop_
_publ_author_name
'Barthelet, K.'
'Marrot, J.'
'Riou, D.'
'Ferey, G.'
_publ_section_title
;
 (H2 O) (V(III)2 F6) and Pyr-(V F3): hydrothermal synthesis, structure
 determination and magnetic characterization of new fluorides with the
 pyrochlore type
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              266
_journal_page_last               269
_journal_volume                  162
_journal_year                    2001
_chemical_formula_sum            'F6 H2 O V2'
_chemical_name_systematic        '(H2 O) (V2 F6)'
_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                   10.4636
_cell_length_b                   10.4636
_cell_length_c                   10.4636
_cell_volume                     1145.627
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Barthelet_JSSCBI_2001_1729.cif
_cod_data_source_block           H2F6O1V2
_cod_original_formula_sum        'H2 F6 O1 V2'
_cod_database_code               1525611
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
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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
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z+1/4,-y,x+1/4
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-x,-y,-z
y,-x-1/4,-z-1/4
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y,x,z
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z+1/4,-y+1/2,x+3/4
-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
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x-3/4,-y+1/2,z-1/4
y,x+1/2,z+1/2
-z,-x+1/2,-y+1/2
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-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
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z,y,x
y-1/4,z+1/4,-x+1/2
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z-1/2,-y+1/4,-x-1/4
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z-1/4,-x+1/2,y-3/4
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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
O1 O-2 0.1491 0.1491 0.1491 0.25 0.0
V1 V+3 0 0.5 0 1 0.0
F1 F-1 0.125 0.625 -0.0659 1 0.0