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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/1/53/52/1535214.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_1535214
loop_
_publ_author_name
'Berngardt, E.A.'
'Ellern, A.M.'
'Kokunov, Yu.V.'
'Struchkov, Yu.T.'
'Sinitsyn, N.M.'
_publ_section_title
;
 Synthesis and crystal structure of potassium and cesium
 tricarbonyltrichloroosmates(II) K(Os(CO)3Cl3) and Cs(Os(CO)3Cl3)
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1997
_journal_page_last               2005
_journal_volume                  37
_journal_year                    1992
_chemical_formula_sum            'C3 Cl3 Cs O3 Os'
_chemical_name_systematic        'Cs (Os (C O)3 Cl3)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.88
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.939
_cell_length_b                   9.099
_cell_length_c                   11.1
_cell_volume                     1003.710
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Berngardt_ZNOKAQ_1992_1269.cif
_cod_data_source_block           C3Cl3Cs1O3Os1
_cod_original_cell_volume        1003.71
_cod_original_formula_sum        'C3 Cl3 Cs1 O3 Os1'
_cod_database_code               1535214
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
O2 O-2 0.4305 0.133 0.586 1 0.0
C3 C+2 0.7236 0.3268 0.7111 1 0.0
O1 O-2 0.5857 0.1166 0.9591 1 0.0
Cl2 Cl-1 0.9337 0.0862 0.7931 1 0.0
C1 C+2 0.6323 0.1196 0.8627 1 0.0
C2 C+2 0.5305 0.1276 0.634 1 0.0
O3 O-2 0.7383 0.449 0.7055 1 0.0
Os1 Os+2 0.7075 0.118 0.7092 1 0.0
Cs1 Cs+1 0.1187 0.2469 0.0426 1 0.0
Cl1 Cl-1 0.8034 0.1093 0.5105 1 0.0
Cl3 Cl-1 0.685 -0.1482 0.7048 1 0.0
