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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/30/1523045.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_1523045
loop_
_publ_author_name
'Virkar, A.V.'
'Raman, A.'
_publ_section_title
;
 Alloy chemistry of sigma (beta-U)-related phases. II: The characteristics
 of delta and other sigma-related phases in some Mo - Ni X systems
;
_journal_name_full               'Zeitschrift fuer Metallkunde'
_journal_page_first              594
_journal_page_last               600
_journal_volume                  60
_journal_year                    1969
_chemical_formula_sum            'Mo0.14 Ni2 Zr0.86'
_chemical_name_systematic        '(Mo0.14 Zr0.86) Ni2'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.906
_cell_length_b                   6.906
_cell_length_c                   6.906
_cell_volume                     329.367
_citation_journal_id_ASTM        ZEMTAE
_cod_data_source_file            Virkar_ZEMTAE_1969_1236.cif
_cod_data_source_block           Mo0.14Ni2Zr0.86
_cod_original_cell_volume        329.3668
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_database_code               1523045
loop_
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x,y,z
-y+1/4,x+1/4,z+1/4
-x,-y+1/2,z+1/2
y+3/4,-x+1/4,z+3/4
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y+3/4,x+1/4,-z+3/4
-x,y,-z
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z,x,y
-x+1/4,z+1/4,y+1/4
-z,-x+1/2,y+1/2
x+3/4,-z+1/4,y+3/4
z,-x+1/2,-y+1/2
x+3/4,z+1/4,-y+3/4
-z,x,-y
-x+1/4,-z+1/4,-y+1/4
y,z,x
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z+1/4,y+3/4,-x+3/4
-y+1/2,z+1/2,-x
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-z+3/4,y+1/4,x+3/4
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x+1/4,-y+1/4,z+1/4
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x,z,y
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-z+3/4,y+3/4,x+5/4
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-y-1/2,x+1/2,-z
-x+1/4,y+1/4,z+1/4
-y-1/2,-x+1/2,z
x+1/4,-y+3/4,z+3/4
y,x+1/2,z+1/2
-z+1/4,-x+3/4,-y+3/4
x,-z+1/2,-y+1/2
z+1/4,x+1/4,-y+1/4
-x-1/2,z+1/2,-y
-z+1/4,x+1/4,y+1/4
-x-1/2,-z+1/2,y
z+1/4,-x+3/4,y+3/4
x,z+1/2,y+1/2
-y+1/4,-z+3/4,-x+3/4
-y-1/4,z+3/4,x+1/4
-z,-y,x
y-1/4,-z+1/4,x+3/4
z,y,x
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z-1/2,-y+1/2,-x
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y+1/4,-z-1/4,x+3/4
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-x+3/4,z+3/4,y+1/4
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x+3/4,y+1/4,-z-1/4
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z+3/4,x+1/4,-y-1/4
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-x,-z+1/2,y-1/2
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x+1/2,z+1/2,y
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z+1/2,y,x-1/2
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-z+1/2,y+1/2,-x
z,-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
Mo1 Mo 0 0 0 0.14 0.0
Ni1 Ni 0.625 0.625 0.625 1 0.0
Zr1 Zr 0 0 0 0.86 0.0
