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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/1/52/65/1526500.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_1526500
loop_
_publ_author_name
'Jobic, S.'
'Brec, R.'
'Pasturel, A.'
'Whangbo Myunghwan'
'Koo, H.-J.'
_publ_section_title
;
 Theoretical study of possible iridium ditelluride phases attainable under
 high pressure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              63
_journal_page_last               68
_journal_volume                  162
_journal_year                    2001
_chemical_formula_sum            'Ir Te2'
_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            2
_cell_length_a                   6.1472
_cell_length_b                   6.1472
_cell_length_c                   4.2017
_cell_volume                     158.774
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Jobic_JSSCBI_2001_1739.cif
_cod_data_source_block           Ir1Te2
_cod_original_cell_volume        158.7741
_cod_original_formula_sum        'Ir1 Te2'
_cod_database_code               1526500
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
Ir1 Ir+4 0 0 0 1 0.0
Te1 Te-2 0.3066 0.3066 0 1 0.0
