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#$Date: 2015-10-09 14:18:00 +0300 (Fri, 09 Oct 2015) $
#$Revision: 161772 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/47/1534786.cif $
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#
# 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_1534786
loop_
_publ_author_name
'Gross, N.'
'Nasch, T.'
'Jeitschko, W.'
_publ_section_title
;
 Ternary intermetallics with high zinc content: T T'2 Zn20 (T= Zr, Hf, Nb;
 T'= Mn, Fe, Ru, Co, Rh, Ni) with Ce Cr2 Al20 - type structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              288
_journal_page_last               293
_journal_volume                  161
_journal_year                    2001
_chemical_formula_sum            'Fe1.97 Nb1.026 Zn20'
_chemical_name_systematic        'Fe1.97 Nb1.026 Zn20'
_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                   13.879
_cell_length_b                   13.879
_cell_length_c                   13.879
_cell_volume                     2673.465
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Gross_JSSCBI_2001_294.cif
_cod_data_source_block           Fe1.97Nb1.026Zn20
_cod_database_code               1534786
loop_
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-y,x+1/4,z+1/4
-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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-z+3/4,-x+1/4,y+1/2
x+3/4,-z,y+3/4
z,-x+1/4,-y+1/4
x+3/4,z+1/4,-y+1/2
-z+3/4,x,-y+3/4
-x,-z,-y
y,z,x
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z+1/4,y+3/4,-x+1/2
-y+1/4,z+1/2,-x+3/4
-z,-y+1/2,-x+1/2
-y+1/4,-z+1/4,x
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-z+1/2,y+1/4,x+3/4
-x,-y,-z
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x-3/4,y-1/4,-z-1/2
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-x,y-1/4,z-1/4
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x-3/4,-y,z-3/4
y,x,z
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y,-x+1/4,-z+1/4
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-x,y+1/4,z+1/4
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x-3/4,-y+1/2,z-1/4
y,x+1/2,z+1/2
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x,-z+1/4,-y+1/4
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-z,x+1/4,y+1/4
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z-3/4,-x+1/2,y-1/4
x,z+1/2,y+1/2
-y,-z+1/2,-x+1/2
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y-1/4,-z,x-1/4
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y+1/4,-z,x-3/4
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
Zn2 Zn 0.48768 0.125 0.125 0.998 0.0
Nb1 Nb 0.125 0.125 0.125 1.026 0.0
Zn3 Zn 0 0 0 1.019 0.0
Fe1 Fe 0.5 0.5 0.5 0.985 0.0
Zn1 Zn 0.06072 0.06072 0.3213 0.997 0.0