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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/62/2106212.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_2106212
loop_
_publ_author_name
'Johnson, P.L.'
'Koch, T.R.'
'Williams, J.M.'
_publ_section_title
;
 Structural studies of precursor and partially oxidized conducting
 complexes. VI. A neutron diffraction study of dicesium
 tetracyano-platinate(II) monohydrate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1293
_journal_page_last               1295
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'C4 H2 Cs2 N4 O Pt'
_chemical_name_systematic        'Cs2 (Pt (C N)4) (H2 O)'
_space_group_IT_number           169
_symmetry_space_group_name_Hall  'P 61'
_symmetry_space_group_name_H-M   'P 61'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.709
_cell_length_b                   9.709
_cell_length_c                   19.343
_cell_volume                     1579.078
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Johnson_ACBCAR_1977_505.cif
_cod_data_source_block           C4H2Cs2N4O1Pt1
_cod_original_formula_sum        'C4 H2 Cs2 N4 O1 Pt1'
_cod_database_code               2106212
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/6
-y,x-y,z+1/3
-x,-y,z+1/2
-x+y,-x,z+2/3
y,-x+y,z+5/6
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
N4 N-3 -0.393 -0.1074 -0.037 1 0.0
N1 N-3 -0.1342 0.3952 0.0021 1 0.0
C2 C+2 0.1888 0.2834 0.0232 1 0.0
Cs2 Cs+1 -0.5613 0.0841 0.0397 1 0.0
C1 C+2 -0.0942 0.3007 0.0013 1 0.0
C4 C+2 -0.2611 -0.0212 -0.023 1 0.0
H2 H+1 0.2883 0.5689 0.0073 1 0.0
C3 C+2 0.0143 -0.0449 -0.0016 1 0.0
N2 N-3 0.3208 0.3716 0.037 1 0.0
N3 N-3 0.0433 -0.1469 -0.0024 1 0.0
Cs1 Cs+1 -0.3412 -0.4215 -0.0408 1 0.0
O1 O-2 0.2926 0.6685 0.0004 1 0.0
H1 H+1 0.3993 0.739 -0.0138 1 0.0
Pt1 Pt+2 -0.0363 0.1304 0 1 0.0
