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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/1/53/56/1535607.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_1535607
loop_
_publ_author_name
'Hornfeck, W.'
'Thimmaiah, S.'
'Lee, 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            'Ir43.96 Zn358.94'
_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_1287.cif
_cod_data_source_block           Ir43.96Zn358.94
_cod_original_cell_volume        6052.45
_cod_database_code               1535607
loop_
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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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z,x+1/2,y+1/2
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-z+1/2,x+1/2,-y
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
Zn2 Zn 0.17743 0.5 0.5 1 0.0
Zn12 Zn 0.0469 0.0469 0.6555 0.33 0.0
Zn4 Zn 0.19577 0.19577 0.30423 1 0.0
Zn13 Zn 0.17785 0.17785 0.5175 1 0.0
Zn10 Zn 0.0816 0.0816 0.4184 1 0.0
Zn8 Zn 0 0 0.5 0.51 0.0
Ir2 Ir 0.16438 0.33562 0.33562 0.182 0.0
Ir1 Ir 0.08684 0.08684 0.91316 1 0.0
Zn14 Zn 0.25 0.25 0.63667 1 0.0
Zn3 Zn 0.15574 0.15574 0.01904 1 0.0
Zn11 Zn 0 0.1794 0.5 0.616 0.0
Zn6 Zn 0.25 0.25 0.42218 0.623 0.0
Zn1 Zn 0.05297 0.44703 0.44703 1 0.0
Zn5 Zn 0.16438 0.33562 0.33562 0.818 0.0
Zn7 Zn 0.094 0.22827 0.406 1 0.0
Ir4 Ir 0.15199 0.15199 0.65199 1 0.0
Zn9 Zn 0.0708 0.0708 0.5708 0.64 0.0
Ir3 Ir 0.25 0.25 0.42218 0.377 0.0
Zn15 Zn 0.10385 0.10385 0.77673 1 0.0
