#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/99/1529925.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_1529925
loop_
_publ_author_name
'Figgis, B.N.'
'Skelton, B.W.'
'White, A.H.'
_publ_section_title
;
 Crystal structures of the simple monoclinic and orthorhombic polytypes of
 tripotassium hexacyanoferrate(III)
;
_journal_name_full               'Australian Journal of Chemistry'
_journal_page_first              1195
_journal_page_last               1199
_journal_volume                  31
_journal_year                    1978
_chemical_formula_sum            'C6 Fe K3 N6'
_chemical_name_systematic        'K3 (Fe (C N)6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.29
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.047
_cell_length_b                   10.4
_cell_length_c                   8.384
_cell_volume                     586.688
_citation_journal_id_ASTM        AJCHAS
_cod_data_source_file            Figgis_AJCHAS_1978_230.cif
_cod_data_source_block           C6Fe1K3N6
_cod_original_cell_volume        586.6877
_cod_original_formula_sum        'C6 Fe1 K3 N6'
_cod_database_code               1529925
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
K2 K+1 0 0 0.5 1 0.0
Fe1 Fe+3 0 0 0 1 0.0
C1 C+2 0.1205 0.1683 0.0288 1 0.0
N3 N-3 0.2974 -0.0881 -0.1846 1 0.0
K1 K+1 0.5025 -0.27007 0.12528 1 0.0
C2 C+2 0.1875 -0.0524 0.2102 1 0.0
C3 C+2 0.1887 -0.0554 -0.1145 1 0.0
N2 N-3 0.2962 -0.0826 0.3361 1 0.0
N1 N-3 0.1996 0.2665 0.0485 1 0.0
