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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/1/53/20/1532067.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_1532067
loop_
_publ_author_name
'Paul-Boncour, V.'
'Bouree-Vigneron, F.'
'Filipek, S.M.'
'Marchuk, I.'
'Percheron-Guegan, A.'
'Jacob, I.'
_publ_section_title
;
 Neutron diffraction study of Zr M2 Dx deuterides (M = Fe, Co)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              69
_journal_page_last               72
_journal_volume                  356
_journal_year                    2003
_chemical_formula_sum            'D2.66 Fe2 Zr'
_chemical_name_systematic        'Zr Fe2 D2.66'
_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                   7.562
_cell_length_b                   7.562
_cell_length_c                   7.562
_cell_volume                     432.424
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Paul-Boncour_JALCEU_2003_1443.cif
_cod_data_source_block           D2.66Fe2Zr1
_cod_original_cell_volume        432.4242
_cod_original_formula_sum        'D2.66 Fe2 Zr1'
_cod_database_code               1532067
loop_
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-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
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y,z,x
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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+1/2,y,x-1/2
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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
D1 D 0.3147 0.3147 0.1294 0.2217 0.0
Zr1 Zr 0.125 0.125 0.125 1 0.0
Fe1 Fe 0.5 0.5 0.5 1 0.0
