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#$Date: 2016-09-16 13:55:27 +0200 (vie 16 de sep de 2016) $
#$Revision: 186592 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/99/1539982.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_1539982
loop_
_publ_author_name
'Yusenko, K.V.'
'Gromilov, S.A.'
'Venediktov, A.V.'
'Korolkov, I.V.'
'Baidina, I.A.'
'Korenev, S.V.'
_publ_section_title
;
 Crystal structure of the double complex compounds [M(NH3)5Cl]2[IrCl6]Cl2
 (M = Co, Rh, Ir)
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              74
_journal_page_last               82
_journal_volume                  44
_journal_year                    2003
_chemical_formula_sum            'Cl10 H30 Ir3 N10'
_chemical_name_systematic        '(Ir (N H3)5 Cl)2 (Ir Cl6) Cl2'
_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                 99.62
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.221
_cell_length_b                   7.912
_cell_length_c                   13.427
_cell_volume                     1175.293
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Yusenko_ZSTKAI_2003_441.cif
_cod_data_source_block           H30Cl10Ir3N10
_cod_original_formula_sum        'H30 Cl10 Ir3 N10'
_cod_database_code               1539982
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
_atom_site_attached_hydrogens
N1 N-3 -0.4982 0 0.2131 1 0.0 3
Cl4 Cl-1 0 -0.2924 0 1 0.0 0
N3 N-3 -0.3846 0.187 0.3924 1 0.0 3
Ir2 Ir+3 -0.3282 0 0.3012 1 0.0 0
Cl2 Cl-1 -0.1351 0 0.4018 1 0.0 0
Cl3 Cl-1 0.2092 0 0.0219 1 0.0 0
Cl5 Cl-1 -0.1767 0.5 0.3762 1 0.0 0
Ir1 Ir+4 0 0 0 1 0.0 0
N2 N-3 -0.2674 0.1849 0.2113 1 0.0 3
Cl1 Cl-1 0.0087 0 0.1753 1 0.0 0
