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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/4/34/35/4343584.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_4343584
loop_
_publ_author_name
'Ryan, R.R.'
'Swanson, B.I.'
_publ_section_title
;
 Bonding in Trivalent Transition Metal Cyanides. Crystal Structures of Cs2
 Li M (C N)6 (M = Cr, Ir)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1681
_journal_page_last               1684
_journal_volume                  13
_journal_year                    1974
_chemical_formula_sum            'C6 Cs2 Ir Li N6'
_chemical_name_systematic        'Cs2 Li Ir (C N)6'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.72
_cell_length_b                   10.72
_cell_length_c                   10.72
_cell_volume                     1231.925
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Ryan_INOCAJ_1974_1321.cif
_cod_data_source_block           C6Cs2Ir1Li1N6
_cod_original_formula_sum        'C6 Cs2 Ir1 Li1 N6'
_cod_database_code               4343584
loop_
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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
Cs1 Cs+1 0.25 0.25 0.25 1 0.0
N1 N-3 0 0 0.2926 1 0.0
Ir1 Ir+3 0 0 0 1 0.0
C1 C+2 0 0 0.1868 1 0.0
Li1 Li+1 0.5 0.5 0.5 1 0.0
