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#$Date: 2016-01-01 13:07:28 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172003 $
#$URL: svn://www.crystallography.net/cod/cif/2/30/05/2300581.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2300581
loop_
_publ_author_name
'Westlake, D.G.'
'Mueller, M.H.'
'Knott, H.W.'
_publ_section_title
;
 Structural transitions at low temperature in vanadium deuterides of the
 Ti-V-H system
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              206
_journal_page_last               216
_journal_volume                  6
_journal_year                    1973
_chemical_formula_sum            'D0.96 V2'
_chemical_name_systematic        'V2 D0.96'
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.14
_cell_length_b                   3.14
_cell_length_c                   3.14
_cell_volume                     30.959
_citation_journal_id_ASTM        JACGAR
_cod_data_source_file            Westlake_JACGAR_1973_465.cif
_cod_data_source_block           D0.96V2
_cod_original_cell_volume        30.95915
_cod_database_code               2300581
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
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z,x,y
-x,z,y
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z,-x,-y
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z,y,-x
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z,-y,x
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x,y,-z
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-x,y,z
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z,x,-y
-x,z,-y
-z,x,y
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z,-x,y
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-y,-z,-x
-y,z,x
-z,-y,x
y,-z,x
z,y,x
y,z,-x
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z,-y,-x
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x+1/2,-y+1/2,-z+1/2
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z+1/2,x+1/2,y+1/2
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z+1/2,-x+1/2,-y+1/2
x+1/2,z+1/2,-y+1/2
-z+1/2,x+1/2,-y+1/2
-x+1/2,-z+1/2,-y+1/2
y+1/2,z+1/2,x+1/2
y+1/2,-z+1/2,-x+1/2
z+1/2,y+1/2,-x+1/2
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-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,z+1/2
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z+1/2,x+1/2,-y+1/2
-x+1/2,z+1/2,-y+1/2
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-y+1/2,z+1/2,x+1/2
-z+1/2,-y+1/2,x+1/2
y+1/2,-z+1/2,x+1/2
z+1/2,y+1/2,x+1/2
y+1/2,z+1/2,-x+1/2
-z+1/2,y+1/2,-x+1/2
z+1/2,-y+1/2,-x+1/2
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
D1 D 0.25 0 0.5 0.08 0.0
V1 V 0 0 0 1 0.0
