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#$Date: 2015-07-13 22:28:22 +0300 (Mon, 13 Jul 2015) $
#$Revision: 150974 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/23/4002391.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_4002391
loop_
_publ_author_name
'Hartman, M.R.'
'Peterson, C.K.'
'Liu Yun'
_publ_section_title
;
 Neutron diffraction and neutron vibrational spectroscopy studies of
 hydrogen adsorption in the Prussian blue analogue Cu3 [Co (C N)6]2
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              3221
_journal_page_last               3224
_journal_volume                  18
_journal_year                    2006
_chemical_formula_sum            'C12 Co2 Cu3 N12'
_chemical_name_systematic        'Cu3 (Co (C N)6)2'
_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                   10.0003
_cell_length_b                   10.0003
_cell_length_c                   10.0003
_cell_volume                     1000.090
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Hartman_CMATEX_2006_1295.cif
_cod_data_source_block           C12Co2Cu3N12
_cod_original_cell_volume        1000.09
_cod_database_code               4002391
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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 0 0.75 0.0
N1 N-3 0.303 0 0 0.5 0.0
C1 C+2 0.189 0 0 0.5 0.0
Co1 Co+3 0 0 0 0.5 0.0
