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#$Date: 2015-07-12 17:52:25 +0300 (Sun, 12 Jul 2015) $
#$Revision: 146920 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/58/1525857.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_1525857
loop_
_publ_author_name
'Ludi, A.'
'Guedel, H.U.'
_publ_section_title
;
 Die Struktur der Hydrate von Co3 (Co (C N)6)2 und Cd3 (Co (C N)6)2
;
_journal_name_full               'Helvetica Chimica Acta'
_journal_page_first              2006
_journal_page_last               2016
_journal_volume                  51
_journal_year                    1968
_chemical_formula_sum            'C15.996 H31.992 Co6.665 N15.996 O15.996'
_chemical_name_systematic        '(Co3 (Co (C N)6)2 (H2 O)12)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                   10.21
_cell_length_b                   10.21
_cell_length_c                   10.21
_cell_volume                     1064.332
_citation_journal_id_ASTM        HCACAV
_cod_data_source_file            Ludi_HCACAV_1968_1419.cif
_cod_data_source_block           C15.996H31.992Co6.665N15.996O15.996
_cod_database_code               1525857
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
N1 N-3 0.204 0 0 0.6667 0.0
Co1 Co+2 0 0 0 1 0.0
O1 O-2 0.02 0.02 0.204 0.0833 0.0
Co2 Co+3 0.5 0.5 0.5 0.6667 0.0
O2 O-2 0.26 0.265 0.304 0.0417 0.0
C1 C+2 0.316 0 0 0.6667 0.0
