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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/1/53/15/1531578.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_1531578
loop_
_publ_author_name
'Irodova, A.V.'
'Andre, G.'
'Bouree, F.'
_publ_section_title
;
 Hydrogen redistribution in the solid solutions Zr V2 Dx, 2.2 <= x <= 2.7.
 II. Structure of the intermediate phase: 'lattice liquid crystal'. A
 neutron diffraction study
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              196
_journal_page_last               204
_journal_volume                  350
_journal_year                    2003
_chemical_formula_sum            'D2.73 V2 Zr'
_chemical_name_systematic        'Zr V2 D2.73'
_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                   7.7237
_cell_length_b                   7.7237
_cell_length_c                   7.7237
_cell_volume                     460.762
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Irodova_JALCEU_2003_1323.cif
_cod_data_source_block           D2.73V2Zr1
_cod_original_cell_volume        460.7615
_cod_original_formula_sum        'D2.73 V2 Zr1'
_cod_database_code               1531578
loop_
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-x+3/4,-y+1/4,z+1/2
y+3/4,-x,z+3/4
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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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-z,x+1/4,y+1/4
-x-3/4,-z+1/4,y
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z,y,x
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-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
V1 V 0.5 0.5 0.5 1 0.0
Zr1 Zr 0.125 0.125 0.125 1 0.0
D1 D 0.3123 0.3123 0.1237 0.2275 0.0
