#------------------------------------------------------------------------------
#$Date: 2015-10-09 19:52:11 +0200 (vie 09 de oct de 2015) $
#$Revision: 162677 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/53/1535360.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_1535360
loop_
_publ_author_name
'Hlukhyy, V.'
'Poettgen, R.'
_publ_section_title
;
 Synthesis and structures of Ir3 Mg13-x Inx
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1646
_journal_page_last               1650
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'In2.37 Ir3 Mg10.63'
_chemical_name_systematic        'Ir3 Mg10.63 In2.37'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   16.062
_cell_length_b                   16.062
_cell_length_c                   8.4337
_cell_volume                     1884.291
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Hlukhyy_JSSCBI_2004_1251.cif
_cod_data_source_block           In2.37Ir3Mg10.63
_cod_database_code               1535360
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+5/6
-x+2/3,-x+y+1/3,-z+5/6
x-y+2/3,-y+1/3,-z+5/6
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z-1/6
x+2/3,x-y+1/3,z-1/6
-x+y+2/3,y+1/3,z-1/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+7/6
-x+1/3,-x+y+2/3,-z+7/6
x-y+1/3,-y+2/3,-z+7/6
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+1/6
x+1/3,x-y+2/3,z+1/6
-x+y+1/3,y+2/3,z+1/6
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
Ir1 Ir 0.171659 0 0.25 1 0.0
In2 In 0 0 0.25 0.202 0.0
Mg2 Mg 0 0 0.25 0.798 0.0
Mg1 Mg 0.63662 0 0.25 0.675 0.0
Mg3 Mg 0.49182 0.18743 0.91449 0.816 0.0
In3 In 0.49182 0.18743 0.91449 0.184 0.0
Mg4 Mg 0.5 0 0 0.968 0.0
In4 In 0.5 0 0 0.032 0.0
In1 In 0.63662 0 0.25 0.325 0.0
