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#$Date: 2016-01-03 12:20:03 +0200 (Sun, 03 Jan 2016) $
#$Revision: 172724 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/03/2020370.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2020370
loop_
_publ_author_name
'Gravereau, P.'
'Garnier, E.'
_publ_section_title
;
 Structure de la Phase Cubique de l'Hexacyanoferrate(III) de Zinc:
 Zn3(Fe(C N)6)2 * n H2 O
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1306
_journal_page_last               1309
_journal_volume                  40
_journal_year                    1984
_chemical_formula_sum
'C15.9996 H38.44 Fe2.6666 N15.9996 O19.22 Zn3.9999'
_chemical_name_systematic        '(Zn3 (Fe (C N)6)2)1.3333 (H2 O)19.22'
_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            1
_cell_length_a                   10.342
_cell_length_b                   10.342
_cell_length_c                   10.342
_cell_volume                     1106.149
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Gravereau_ACSCEE_1984_1848.cif
_cod_data_source_block           C15.9996H38.44Fe2.6666N15.9996O19.22Zn3.9999
_cod_database_code               2020370
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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
O1 O-2 0.2872 0 0 0.3333 0.0
O3 O-2 0.1432 0.1432 0.1432 0.084 0.0
O4 O-2 0.2067 0.2067 0.2067 0.17 0.0
N1 N-3 0.2975 0 0 0.6667 0.0
C1 C+2 0.1858 0 0 0.6667 0.0
Fe1 Fe+3 0 0 0 0.6667 0.0
O5 O-2 0.25 0.25 0.25 0.341 0.0
Zn1 Zn+2 0.5 0 0 1 0.0
O2 O-2 0 0 0 0.092 0.0
