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#$Date: 2015-07-08 15:05:26 +0300 (Wed, 08 Jul 2015) $
#$Revision: 141027 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/12/1521295.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_1521295
loop_
_publ_author_name
'Malecki, G.'
'Ratuszna, A.'
_publ_section_title
;
 Crystal structure of cyanometallates Me3 (Co (C N)6)2 and K Me (Fe (C
 N)6) with Me = Mn(2+), Ni(2+), Cu(2+)
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              25
_journal_page_last               30
_journal_volume                  14
_journal_year                    1999
_chemical_formula_sum
'C15.996 H30.666 Co2.666 Mn3.999 N15.996 O15.333'
_chemical_name_systematic        '(Mn3 (Co (C N)6)2)1.333 (H2 O)15.333'
_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                   10.413
_cell_length_b                   10.413
_cell_length_c                   10.413
_cell_volume                     1129.088
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Malecki_PODIE2_1999_688.cif
_cod_data_source_block           C15.996H30.666Co2.666Mn3.999N15.996O15.333
_cod_database_code               1521295
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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
C1 C+2 0 0 0.184 0.6667 0.0
O1 O-2 0 0 0 0.1667 0.0
O4 O-2 0.25 0.25 0.25 0.5 0.0
Mn1 Mn+2 0.5 0.5 0.5 1 0.0
O3 O-2 0.198 0.198 0.198 0.0833 0.0
O2 O-2 0 0 0.29 0.3333 0.0
Co1 Co+3 0 0 0 0.6667 0.0
N1 N-3 0 0 0.296 0.6667 0.0
