#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/04/1530466.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_1530466
loop_
_publ_author_name
'Mullica, D.F.'
'Sappenfield, E.L.'
'Perkins, H.O.'
_publ_section_title
;
 A structural investigation of praseodymium potassium hexacyanoferrate(II)
 tetrahydrate, Pr K Fe (C N)6 4(H2 O)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              65
_journal_page_last               70
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'C6 H8 Fe K N6 O4 Pr'
_chemical_name_systematic        'Pr K (Fe (C N)6) (H2 O)4'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.374
_cell_length_b                   7.374
_cell_length_c                   13.826
_cell_volume                     651.079
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Mullica_JSSCBI_1988_1597.cif
_cod_data_source_block           C6H8Fe1K1N6O4Pr1
_cod_original_cell_volume        651.0787
_cod_original_formula_sum        'C6 H8 Fe1 K1 N6 O4 Pr1'
_cod_database_code               1530466
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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
O1 O-2 0.4256 0.355 0.25 1 0.0
N1 N-3 0.267 0.8809 0.1259 1 0.0
K1 K+1 0.6667 0.3333 0.0877 0.5 0.0
O2 O-2 0.6667 0.3333 0.0745 0.5 0.0
Pr1 Pr+3 0.3333 0.6667 0.25 1 0.0
C1 C+2 0.0727 0.239 0.079 1 0.0
Fe1 Fe+2 0 0 0 1 0.0
