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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/1/53/56/1535602.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_1535602
loop_
_publ_author_name
'Hornfeck, W.'
'Lee, S.'
'Thimmaiah, S.'
'Harbrecht, B.'
_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            'Ir36.22 Zn369.79'
_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                   18.214
_cell_length_b                   18.214
_cell_length_c                   18.214
_cell_volume                     6042.491
_citation_journal_id_ASTM        CEUJED
_cod_data_source_file            Hornfeck_CEUJED_2004_1284.cif
_cod_data_source_block           Ir36.22Zn369.79
_cod_original_cell_volume        6042.492
_cod_database_code               1535602
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
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z+1/2,y+1/2,x
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-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
Zn15 Zn 0.25 0.25 0.6378 1 0.0
Ir3 Ir 0.16452 0.33548 0.33548 0.019 0.0
Zn3 Zn 0.15662 0.15662 0.01988 1 0.0
Zn7 Zn 0.25 0.25 0.4203 0.905 0.0
Ir1 Ir 0.0865 0.0865 0.9135 1 0.0
Zn13 Zn 0.04735 0.04735 0.6538 0.617 0.0
Zn6 Zn 0.16452 0.33548 0.33548 0.981 0.0
Ir4 Ir 0.25 0.25 0.4203 0.095 0.0
Zn2 Zn 0.1767 0.5 0.5 1 0.0
Zn10 Zn 0.0709 0.0709 0.5709 0.42 0.0
Zn14 Zn 0.185 0.185 0.5148 1 0.0
Zn16 Zn 0.10398 0.10398 0.77717 1 0.0
Zn9 Zn 0 0 0.5 0.7 0.0
Zn11 Zn 0.085 0.085 0.415 1 0.0
Zn4 Zn 0.1714 0.1714 0.3286 0.3 0.0
Ir5 Ir 0.15098 0.15098 0.65098 1 0.0
Zn5 Zn 0.1955 0.1955 0.3045 0.6 0.0
Zn12 Zn 0 0.1766 0.5 0.29 0.0
Ir2 Ir 0.25 0.25 0.25 0.405 0.0
Zn1 Zn 0.05309 0.44691 0.44691 1 0.0
Zn8 Zn 0.08768 0.22984 0.41232 1 0.0
