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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/04/1530467.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_1530467
loop_
_publ_author_name
'Mullica, D.F.'
'Perkins, H.O.'
'Sappenfield, E.L.'
'Grossie, D.A.'
_publ_section_title
;
 Synthesis and structural study of samarium hexacyanoferrate (III)
 tetrahydrate, Sm Fe (C N)6 4(H2 O)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              9
_journal_page_last               15
_journal_volume                  74
_journal_year                    1988
_chemical_formula_sum            'C6 H8 Fe N6 O4 Sm'
_chemical_name_systematic        'Sm Fe (C N)6 (H2 O)4'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.95
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.431
_cell_length_b                   13.724
_cell_length_c                   7.429
_cell_volume                     656.459
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Mullica_JSSCBI_1988_1619.cif
_cod_data_source_block           C6H8Fe1N6O4Sm1
_cod_original_cell_volume        656.4589
_cod_original_formula_sum        'C6 H8 Fe1 N6 O4 Sm1'
_cod_database_code               1530467
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-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
C2 C+2 0.1373 0.4108 0.2315 1 0.0
C3 C+2 -0.137 0.5592 0.1349 1 0.0
N3 N-3 0.2177 0.4035 0.7849 1 0.0
Fe1 Fe+3 0 0.5 0 1 0.0
O1 O-2 0.6568 0.4005 0.3462 1 0.0
Sm1 Sm+3 0.32355 0.25 0.67655 1 0.0
N1 N-3 0.6255 0.3598 0.7771 1 0.0
C1 C+2 0.2302 0.5894 0.1364 1 0.0
O2 O-2 0.48 0.25 1.048 1 0.0
O3 O-2 -0.048 0.25 0.52 1 0.0
N2 N-3 0.2206 0.36 0.3721 1 0.0
