#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/59/9015947.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015947
loop_
_publ_author_name
'Groult, D.'
Pannetier
'Raveau, B.'
_publ_section_title
;
 Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6,
 H2Ta2O6, and HTaWO6*H2 O
 _cod_database_code 1001215
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              277
_journal_page_last               285
_journal_paper_doi               10.1016/0022-4596(82)90147-5
_journal_volume                  41
_journal_year                    1982
_chemical_formula_sum            'D0.4 H0.1 O3 Ta0.5 W0.5'
_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_length_a                   10.4421
_cell_length_b                   10.4421
_cell_length_c                   10.4421
_cell_formula_units_Z            16
_cell_volume                     1138.580
_database_code_amcsd             0013470
_exptl_crystal_density_diffrn    5.397
_cod_duplicate_entry             1001215
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ta.5 W.5) O3 D.4 H.1'
_cod_database_code               9015947
_amcsd_formula_title             D1.8H0.2TaWO6
loop_
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x,y,z
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1/2+x,y,1/2+z
1/2+x,1/2+y,z
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3/4+z,-x,3/4+y
1/4+z,1/2-x,3/4+y
1/4+z,-x,1/4+y
3/4-y,1/2+z,1/4-x
3/4-y,+z,3/4-x
1/4-y,1/2+z,3/4-x
1/4-y,+z,1/4-x
3/4+x,1/2-y,1/4+z
3/4+x,-y,3/4+z
1/4+x,1/2-y,3/4+z
1/4+x,-y,1/4+z
3/4-z,1/2+x,1/4-y
3/4-z,+x,3/4-y
1/4-z,1/2+x,3/4-y
1/4-z,+x,1/4-y
3/4+y,1/2-z,1/4+x
3/4+y,-z,3/4+x
1/4+y,1/2-z,3/4+x
1/4+y,-z,1/4+x
3/4-x,1/2+y,1/4-z
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1/4+z,3/4+x,1/2-y
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1/4-y,1/4-z,+x
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3/4+x,1/4+y,1/2-z
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1/4+x,1/4+y,-z
1/4+x,3/4+y,1/2-z
3/4-z,1/4-x,1/2+y
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1/4-z,3/4-x,1/2+y
3/4+y,1/4+z,1/2-x
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3/4+y,-x,3/4+z
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1/4-x,3/4-z,1/2+y
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3/4+z,1/4+y,1/2-x
1/4+z,3/4+y,1/2-x
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3/4-y,3/4-x,z
3/4-y,1/4-x,1/2+z
1/4-y,3/4-x,1/2+z
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3/4+x,1/4+z,1/2-y
1/4+x,3/4+z,1/2-y
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3/4-z,3/4-y,x
3/4-z,1/4-y,1/2+x
1/4-z,3/4-y,1/2+x
1/4-z,1/4-y,x
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3/4+y,1/4+x,1/2-z
1/4+y,3/4+x,1/2-z
1/4+y,1/4+x,-z
-z,-x,-y
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1/2-z,-x,1/2-y
1/2-z,1/2-x,-y
y,z,x
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
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1/2-x,-y,1/2-z
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z,x,y
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
-y,-z,-x
-y,1/2-z,1/2-x
1/2-y,-z,1/2-x
1/2-y,1/2-z,-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ta1 0.00000 0.00000 0.00000 0.50000
W1 0.00000 0.00000 0.00000 0.50000
O1 0.31080 0.12500 0.12500 1.00000
D1 0.40000 0.12500 0.12500 0.13330
H1 0.40000 0.12500 0.12500 0.03330
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013470
