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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/2/10/74/2107423.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_2107423
loop_
_publ_author_name
'Haser, R.'
'Pierrot, M.'
'de Broin, C.E.'
_publ_section_title
;
 Etude structurale de la serie des hexacyanoferrates(II,III) d'hydrogene:
 H3+x (Fe(II)x Fe(III)1-x (C N)6)(H2 O)y. I. Struct. cristall. des phases
 hexagonales H, H3 Fe(III) (C N)6 et H3 Co(III) (C N)6, par diffr.
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2530
_journal_page_last               2537
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'C6 H3 Co N6'
_chemical_name_systematic        'H3 Co (C N)6'
_space_group_IT_number           162
_symmetry_space_group_name_Hall  '-P 3 2'
_symmetry_space_group_name_H-M   'P -3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.432
_cell_length_b                   6.432
_cell_length_c                   5.701
_cell_volume                     204.255
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Haser_ACBCAR_1972_841.cif
_cod_data_source_block           C6H3Co1N6
_cod_original_cell_volume        204.2555
_cod_original_formula_sum        'C6 H3 Co1 N6'
_cod_database_code               2107423
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,-z
x,x-y,-z
-x+y,y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
y,x,z
-x,-x+y,z
x-y,-y,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
C1 C+2 0.23745 0 0.19377 1 0.0
N1 N-3 0.377 0 0.32092 1 0.0
H1 H+1 0.422 0 0.495 0.5 0.0
Co1 Co+3 0 0 0 1 0.0
