#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/37/4343736.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_4343736
loop_
_publ_author_name
'Beno, M.A.'
'Rotella, F.J.'
'Jorgensen, J.M.'
'Williams, J.M.'
_publ_section_title
;
 Structural studies of precursor and partially oxidized conducting
 complexes. 21. Single-crystal and powder time-of-flight neutron
 diffraction studies of Tl4 (Pt (C N)4)1 C O3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1802
_journal_page_last               1806
_journal_volume                  20
_journal_year                    1981
_chemical_formula_sum            'C5 N4 O3 Pt Tl4'
_chemical_name_systematic        'Tl4 Pt (C N)4 C O3'
_space_group_IT_number           124
_symmetry_space_group_name_Hall  '-P 4 2c'
_symmetry_space_group_name_H-M   'P 4/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.908
_cell_length_b                   9.908
_cell_length_c                   6.487
_cell_volume                     636.819
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Beno_INOCAJ_1981_1510.cif
_cod_data_source_block           C5N4O3Pt1Tl4
_cod_original_cell_volume        636.8188
_cod_original_formula_sum        'C5 N4 O3 Pt1 Tl4'
_cod_database_code               4343736
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
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
Pt1 Pt+2 0 0 0 1 0.0
O2 O-2 0.4588 0.6187 0.222 0.25 0.0
O1 O-2 0.403 0.403 0.25 0.25 0.0
Tl1 Tl+1 0.4074 0.2038 0 1 0.0
C2 C+4 0.5 0.5 0.25 1 0.0
C1 C+2 0.0738 0.1855 0 1 0.0
N1 N-3 0.12 0.2934 0 1 0.0
