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#$Date: 2015-07-13 02:08:04 +0300 (Mon, 13 Jul 2015) $
#$Revision: 148475 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/37/4343735.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_4343735
loop_
_publ_author_name
'Beall, G.W.'
'Milligan, W.O.'
'Bernal, I.'
'Korp, J.D.'
_publ_section_title
;
 Crystal structure of Mn3 (Co (C N)6)2 (H2 O)12 and Cd3 (Co (C N)6)2 (H2
 O)12 by neutron and X-Ray diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2715
_journal_page_last               2718
_journal_volume                  16
_journal_year                    1977
_chemical_formula_sum
'C15.996 H34.658 Cd3.999 Co2.666 N15.996 O17.329'
_chemical_name_systematic        '(Cd3 (Co (C N)6)2 (H2 O)13)1.333'
_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            1
_cell_length_a                   10.6
_cell_length_b                   10.6
_cell_length_c                   10.6
_cell_volume                     1191.016
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Beall_INOCAJ_1977_749.cif
_cod_data_source_block           C15.996H34.658Cd3.999Co2.666N15.996O17.329
_cod_database_code               4343735
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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
O1 O-2 0 0 0.262 0.3333 0.0
Cd1 Cd+2 0 0 0.5 1 0.0
O2 O-2 0 0 0 0.3333 0.0
C1 C+2 0 0 0.1766 0.6667 0.0
N1 N-3 0 0 0.286 0.6667 0.0
O3 O-2 0.217 0.217 0.217 0.1667 0.0
Co1 Co+3 0 0 0 0.6667 0.0
O4 O-2 0.25 0.25 0.25 0.3333 0.0
