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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/4/34/35/4343575.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_4343575
loop_
_publ_author_name
'Jobic, S.'
'Brec, R.'
'Koo, H.-J.'
'Chateau, C.'
'Leger, J.M.'
'Haines, J.'
'Whangbo Myunghwan'
_publ_section_title
;
 Synthesis and crystal structure determination of a new pressure-induced
 iridium ditelluride phase, m-(Ir Te2), and comparison of the crystal
 structures and relative stabilities of various Ir Te2 polymorphs
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4370
_journal_page_last               4373
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'Ir Te2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.818
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   19.975
_cell_length_b                   4.0016
_cell_length_c                   5.3119
_cell_volume                     424.547
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Jobic_INOCAJ_2000_1124.cif
_cod_data_source_block           Ir1Te2
_cod_original_cell_volume        424.5473
_cod_original_formula_sum        'Ir1 Te2'
_cod_database_code               4343575
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
Te1 Te-1 0.4556 0 0.7754 1 0.0
Te3 Te-1 0.3804 0.5 0.2802 1 0.0
Ir2 Ir+3 0.5 0.5 0.5 1 0.0
Ir1 Ir+3 0.3398 0 0.0027 1 0.0
Te2 Te-1 0.2809 0.5 0.7545 1 0.0
