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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/53/1535337.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_1535337
loop_
_publ_author_name
'Hlukhyy, V.'
'Hoffmann, R.D.'
'Poettgen, R.'
_publ_section_title
;
 Synthesis and crystal structures of the pseudobinary intermetallics Ir
 In2-x Mgx with orthorhombic Mg2 Cu structure and Ir Mg3-x Inx with
 hexagonal Cu3 P Type
;
_journal_name_full               Intermetallics
_journal_page_first              383
_journal_page_last               387
_journal_volume                  12
_journal_year                    2004
_chemical_formula_sum            'In0.97 Ir Mg2.03'
_chemical_name_systematic        'Ir (In0.97 Mg2.03)'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.887
_cell_length_b                   7.887
_cell_length_c                   8.366
_cell_volume                     450.684
_citation_journal_id_ASTM        IERME5
_cod_data_source_file            Hlukhyy_IERME5_2004_1213.cif
_cod_data_source_block           In0.97Ir1Mg2.03
_cod_original_cell_volume        450.6841
_cod_original_formula_sum        'In0.97 Ir1 Mg2.03'
_cod_database_code               1535337
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z
-x+y,y,z+1/2
-x,-x+y,z
-y,-x,z+1/2
x-y,-y,z
x,x-y,z+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
Mg1 Mg 0.29389 0.29389 0.0773 0.409 0.0
In3 In 0.3333 0.6667 0.2231 0.252 0.0
In1 In 0.29389 0.29389 0.0773 0.591 0.0
In2 In 0.367 0.367 0.4216 0.195 0.0
Mg4 Mg 0 0 0.3076 0.957 0.0
Mg3 Mg 0.3333 0.6667 0.2231 0.748 0.0
Ir1 Ir 0.32789 0.32789 0.75 1 0.0
In4 In 0 0 0.3076 0.043 0.0
Mg2 Mg 0.367 0.367 0.4216 0.805 0.0
