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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/2/10/65/2106586.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_2106586
loop_
_publ_author_name
'Schultz, A.J.'
'Williams, J.M.'
'Gerrity, D.P.'
_publ_section_title
;
 Structural studies of precursor and partially oxidized conducting
 complexes. XVI. An X-ray diffraction study of dicesium
 tetracyanoplatinate hydrogendifluoride Cs2 (Pt (C N)4) (F H F)0.39
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1673
_journal_page_last               1674
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'C4 H0.39 Cs2 F0.78 N4 Pt'
_chemical_name_systematic        'Cs2 (Pt (C N)4) (F H F)0.39'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.057
_cell_length_b                   13.057
_cell_length_c                   5.665
_cell_volume                     965.799
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Schultz_ACBCAR_1978_322.cif
_cod_data_source_block           C4H0.39Cs2F0.78N4Pt1
_cod_original_formula_sum        'C4 H0.39 Cs2 F0.78 N4 Pt1'
_cod_database_code               2106586
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+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
Cs1 Cs+1 0.1574 0.6574 0 1 0.0
N1 N-3 0.0864 0.2245 0 1 0.0
F1 F-1 0 0.5 0.15 0.26 0.0
Pt1 Pt+2 0 0 0 1 0.0
F2 F-1 0 0.5 0.25 0.26 0.0
C1 C+2 0.055 0.1442 0 1 0.0
