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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/20/1532074.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_1532074
loop_
_publ_author_name
'Paul-Boncour, V.'
'Bouree-Vigneron, F.'
'Jacob, I.'
'Marchuk, I.'
'Filipek, S.M.'
'Percheron-Guegan, A.'
_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            'Co2 D2.03 Zr'
_chemical_name_systematic        'Zr Co2 D2.03'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            64
_cell_length_a                   14.385
_cell_length_b                   14.385
_cell_length_c                   14.385
_cell_volume                     2976.663
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Paul-Boncour_JALCEU_2003_1446.cif
_cod_data_source_block           D2.03Co2Zr1
_cod_original_formula_sum        'D2.03 Co2 Zr1'
_cod_database_code               1532074
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
y,x,z
z,x,y
x,-z,-y
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z,-x,-y
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x,z,y
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z,x+1/2,y+1/2
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y+1/2,z+1/2,x
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-z+1/2,-y+1/2,x
-y+1/2,z+1/2,-x
z+1/2,y+1/2,x
-y+1/2,-z+1/2,x
-z+1/2,y+1/2,-x
z+1/2,-y+1/2,-x
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
D4 D 0.15 0.74 0.26 0.2 0.0
Co3 Co 0.0625 0.0625 0.8125 1 0.0
D1 D 0.001 0.114 0.114 0.42 0.0
Zr3 Zr 0 0.25 0.25 1 0.0
Zr5 Zr 0.625 0.625 0.625 1 0.0
Co4 Co 0.0625 0.0625 0.3125 1 0.0
D6 D 0.87 0.49 0.23 0.33 0.0
D2 D 0.509 0.85 0.35 0.17 0.0
Co2 Co 0.8125 0.8125 0.8125 1 0.0
D5 D 0.75 0.85 0.11 0.4 0.0
Zr4 Zr 0.125 0.125 0.125 1 0.0
Zr2 Zr 0.5 0.5 0.5 1 0.0
D3 D 0.45 0.9 0.95 0.062 0.0
D7 D 0.22 0.83 0.09 0.198 0.0
Zr1 Zr 0 0 0 1 0.0
Co1 Co 0.3125 0.3125 0.3125 1 0.0
