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#$Date: 2015-07-14 14:23:27 +0300 (Tue, 14 Jul 2015) $
#$Revision: 152034 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/12/4031278.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_4031278
loop_
_publ_author_name
'Shen Xiaoping'
'Li Yizhi'
'Guo Guocong'
'Xu Zheng'
'Song You'
_publ_section_title
;
 Single-Crystal Structure and Magnetic Behavior of a Molecule-Based
 Ferrimagnet Mn[Mn0.2Cr0.8(CN)6]Â·4H2O
;
_journal_name_full               'European Journal of Inorganic Chemistry'
_journal_page_first              1698
_journal_page_last               1702
_journal_volume                  2007
_journal_year                    2007
_chemical_formula_sum            'C6 H8 Cr0.8 Mn1.2 N6 O4'
_chemical_name_systematic        'Mn (Mn0.2 Cr0.8 (C N)6) (H2 O)4'
_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            4
_cell_length_a                   10.7632
_cell_length_b                   10.7632
_cell_length_c                   10.7632
_cell_volume                     1246.879
_citation_journal_id_ASTM        EJICFO
_cod_data_source_file            ShenXiaoping_EJICFO_2007_1313.cif
_cod_data_source_block           C6H8Cr0.8Mn1.2N6O4
_cod_database_code               4031278
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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
H2 H+1 0.2833 0.2833 0.1832 0.08 0.0
Cr1 Cr+3 0.5 0.5 0.5 0.8 0.0
Mn2 Mn+3 0.5 0.5 0.5 0.2 0.0
O1 O-2 0.25 0.25 0.25 1 0.0
H3 H+1 0.1347 0.1974 0.1974 0.081 0.0
C1 C+2 0.3043 0.5 0.5 1 0.0
H4 H+1 0.1347 0.2307 0.3219 0.046499 0.0
O2 O-2 0.1611 0.25 0.25 0.166498 0.0
N1 N-3 0.2002 0.5 0.5 1 0.0
H1 H+1 0.2754 0.2896 0.3135 0.04 0.0
Mn1 Mn+3 0 0.5 0.5 1 0.0
