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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/56/1535605.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_1535605
loop_
_publ_author_name
'Hornfeck, W.'
'Thimmaiah, S.'
'Harbrecht, B.'
'Lee, S.'
_publ_section_title
;
 Structure-composition relations for the Hume-Rothery phase Ir(7+7delta)
 Zn(97-11delta) (0.31 < delta < 0.58)
;
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              4616
_journal_page_last               4626
_journal_volume                  10
_journal_year                    2004
_chemical_formula_sum            'Ir38.35 Zn367.3'
_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            1
_cell_length_a                   18.224
_cell_length_b                   18.224
_cell_length_c                   18.224
_cell_volume                     6052.449
_citation_journal_id_ASTM        CEUJED
_cod_data_source_file            Hornfeck_CEUJED_2004_1285.cif
_cod_data_source_block           Ir38.35Zn367.3
_cod_original_cell_volume        6052.45
_cod_database_code               1535605
loop_
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x,y,z
y,-x,-z
-x,-y,z
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x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
z,x,y
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z,-x,-y
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x+1/2,z+1/2,y
y+1/2,z+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
-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
Zn12 Zn 0 0.1791 0.5 0.36 0.0
Zn10 Zn 0.0706 0.0706 0.5706 0.45 0.0
Zn14 Zn 0.1762 0.1762 0.5164 0.62 0.0
Zn7 Zn 0.25 0.25 0.42122 0.838 0.0
Zn11 Zn 0.0841 0.0841 0.4159 1 0.0
Zn3 Zn 0.15597 0.15597 0.01971 1 0.0
Ir4 Ir 0.25 0.25 0.42122 0.162 0.0
Zn15 Zn 0.1921 0.1921 0.513 0.4 0.0
Zn8 Zn 0.09021 0.22948 0.40979 1 0.0
Zn17 Zn 0.10404 0.10404 0.77713 1 0.0
Zn13 Zn 0.047 0.047 0.6542 0.566 0.0
Ir1 Ir 0.08666 0.08666 0.91334 1 0.0
Zn1 Zn 0.05294 0.44706 0.44706 1 0.0
Zn5 Zn 0.1961 0.1961 0.3039 0.62 0.0
Zn4 Zn 0.175 0.175 0.325 0.25 0.0
Zn6 Zn 0.16454 0.33546 0.33546 0.908 0.0
Ir2 Ir 0.25 0.25 0.25 0.25 0.0
Zn9 Zn 0 0 0.5 0.63 0.0
Zn2 Zn 0.1763 0.5 0.5 1 0.0
Ir5 Ir 0.15128 0.15128 0.65128 1 0.0
Zn16 Zn 0.25 0.25 0.6371 1 0.0
Ir3 Ir 0.16454 0.33546 0.33546 0.092 0.0
