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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/1/52/63/1526332.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_1526332
loop_
_publ_author_name
'Ratuszna, A.'
'Malecki, G.'
_publ_section_title
;
 Crystal structure of cubic K Me (M (C N)6)2 and monoclinic Mn3 (Fe (C
 N)6)2 with Me = Co, Ni, Cu; M = Co, Fe
;
_journal_name_full               'Materials Science Forum'
_journal_page_first              947
_journal_page_last               953
_journal_volume                  321
_journal_year                    2000
_chemical_formula_sum            'C6 H18 Co Cu K N6 O9'
_chemical_name_systematic        'K Cu (Co (C N)6) (H2 O)9'
_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            2
_cell_length_a                   9.997
_cell_length_b                   9.997
_cell_length_c                   9.997
_cell_volume                     999.100
_citation_journal_id_ASTM        MSFOEP
_cod_data_source_file            Ratuszna_MSFOEP_2000_352.cif
_cod_data_source_block           C6H18Co1Cu1K1N6O9
_cod_original_cell_volume        999.1002
_cod_original_formula_sum        'C6 H18 Co1 Cu1 K1 N6 O9'
_cod_database_code               1526332
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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
Cu1 Cu+2 0.5 0.5 0.5 0.5 0.0
C1 C+2 0 0 0.171 0.5 0.0
O2 O-2 0.169 0.169 0.169 0.0625 0.0
O3 O-2 0 0 0 0.5 0.0
O1 O-2 0 0 0.322 0.5 0.0
Co1 Co+3 0 0 0 0.5 0.0
O4 O-2 0.5 0.5 0.5 0.5 0.0
K1 K+1 0.25 0.25 0.25 0.25 0.0
N1 N-3 0 0 0.286 0.5 0.0
