#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/53/1535369.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_1535369
loop_
_publ_author_name
'Hlukhyy, V.'
'Hoffmann, R.D.'
'Poettgen, R.'
_publ_section_title
;
 The solid solution Mgx In3-x Ir - formation of the Fe Ga3 type up to x=
 0.73 and the cementite structure with x= 0.92
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              68
_journal_page_last               74
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'In2.75 Ir Mg0.25'
_chemical_name_systematic        'Mg0.25 Ir In2.75'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.996
_cell_length_b                   6.996
_cell_length_c                   7.162
_cell_volume                     350.537
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hlukhyy_ZAACAB_2004_1070.cif
_cod_data_source_block           In2.75Ir1Mg0.25
_cod_original_formula_sum        'In2.75 Ir1 Mg0.25'
_cod_database_code               1535369
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
-x,-y,-z
y-1/2,-x-1/2,-z-1/2
x,y,-z
-y-1/2,x-1/2,-z-1/2
-x-1/2,y-1/2,z-1/2
-y,-x,z
x-1/2,-y-1/2,z-1/2
y,x,z
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 0.5 0 0 0.182 0.0
Mg2 Mg 0.15333 0.15333 0.2576 0.035 0.0
In2 In 0.15333 0.15333 0.2576 0.965 0.0
Ir1 Ir 0.3456 0.3456 0 1 0.0
In1 In 0.5 0 0 0.818 0.0
