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#$Date: 2016-09-18 20:34:50 +0300 (Sun, 18 Sep 2016) $
#$Revision: 186638 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/76/1527619.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_1527619
loop_
_publ_author_name
'Katila, T.'
'Ylae-Jaeaeski, J.'
'Leskelae, M.'
'Niinisto, L.'
'Riski, K.J.'
'Valkonen, J.'
_publ_section_title
;
 Crystal structure and Moessbauer measurements of monoclinic sodium
 hexacyanoferrate(III) dihydrate
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              341
_journal_page_last               346
_journal_volume                  35
_journal_year                    1980
_chemical_formula_sum            'C6 H4 Fe N6 Na3 O2'
_chemical_name_systematic        'Na3 Fe (C N)6 (H2 O)2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.12
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.551
_cell_length_b                   7.482
_cell_length_c                   6.515
_cell_volume                     634.575
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Katila_JSSCBI_1980_1335.cif
_cod_data_source_block           C6H4Fe1N6Na3O2
_cod_original_cell_volume        634.5754
_cod_original_formula_sum        'C6 H4 Fe1 N6 Na3 O2'
_cod_database_code               1527619
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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
_atom_site_attached_hydrogens
Na2 Na+1 0 0.5 0.5 1 0.0 0
C2 C+2 0.3864 0.5 0.1276 1 0.0 0
N2 N-3 0.3193 0.5 0.2029 1 0.0 0
Na1 Na+1 0.7533 0.5 0.5048 1 0.0 0
O1 O-2 0.8438 0.5 0.2253 1 0.0 2
C1 C+2 0.5702 0.3215 0.2057 1 0.0 0
N1 N-3 0.1147 0.2762 0.3351 1 0.0 0
Fe1 Fe+3 0 0 0 1 0.0 0
