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#$Date: 2015-10-20 18:19:12 +0300 (Tue, 20 Oct 2015) $
#$Revision: 169228 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/17/4031705.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_4031705
loop_
_publ_author_name
'Hay, C.M.'
'Johnson, B.F.G.'
'Whitton, A.J.'
'Lewis, J.'
'Raithby, P.R.'
_publ_section_title
;
 Preparation and characterization of mixed bismuth and ruthenium clusters;
 X-Ray crystal structures of (Ru3 (mue-H)3 (C O)9 (mue-3-Bi)), (Ru3 (C O)9
 (mue-3-Bi)2), and (Ru4 (C O)12 (mue-4-Bi)2)
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              2091
_journal_page_last               2097
_journal_volume                  1988
_journal_year                    1988
_chemical_formula_sum            'C12 Bi2 O12 Ru4'
_chemical_name_systematic        '(Ru (C O)3)4 Bi2'
_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                 91.12
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.516
_cell_length_b                   7.42
_cell_length_c                   12.603
_cell_volume                     1076.704
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Hay_JCDTBI_1988_78.cif
_cod_data_source_block           C12Bi2O12Ru4
_cod_database_code               4031705
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
O4 O-2 0.1691 0.3156 0.559 1 0.0
O1 O-2 0.4789 0.4094 0.2304 1 0.0
C3 C+2 0.495 -0.076 0.2237 1 0.0
Bi1 Bi 0.4871 -0.2538 0.4598 1 0.0
Ru1 Ru 0.5412 0.0645 0.3466 1 0.0
O2 O-2 0.787 0.0901 0.2743 1 0.0
Ru2 Ru 0.3269 0.0359 0.4632 1 0.0
O3 O-2 0.4707 -0.1596 0.1526 1 0.0
O6 O-2 0.2468 0.1266 0.2404 1 0.0
C5 C+2 0.2125 -0.1432 0.4747 1 0.0
C6 C+2 0.2818 0.0921 0.3219 1 0.0
C2 C+2 0.698 0.0721 0.3082 1 0.0
C4 C+2 0.2294 0.214 0.5257 1 0.0
C1 C+2 0.501 0.2823 0.2734 1 0.0
O5 O-2 0.1416 -0.2569 0.4779 1 0.0
