#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/03/1010348.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_1010348
loop_
_publ_author_name
'Strada, M'
_publ_section_title
;
Ricerche sulla struttura dei pseudo-alogeni e dei loro composti. - I.
Tiocianato di tallio
;
_journal_coden_ASTM              GCITA9
_journal_name_full               'Gazzetta Chimica Italiana'
_journal_page_first              400
_journal_page_last               409
_journal_volume                  64
_journal_year                    1934
_chemical_formula_structural     'Tl S C N'
_chemical_formula_sum            'N S Tl'
_chemical_name_systematic        'Thallium thiocyanate'
_space_group_IT_number           75
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      75
_symmetry_space_group_name_Hall  'P 4'
_symmetry_space_group_name_H-M   'P 4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.766
_cell_length_b                   4.766
_cell_length_c                   3.78
_cell_volume                     85.9
_exptl_crystal_density_meas      4.92
_cod_database_code               1010348
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
y,-x,z
-y,x,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Tl1 Tl1+ 1 a 0. 0. 0. 1. 0 d
C1 C4+ 1 b 0.5 0.5 0.29 1. 0 d
S1 S2- 1 b -1. -1. -1. 1. 0 dum
N1 N3- 1 b -1. -1. -1. 1. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
Tl1+ 1.000
C4+ 4.000
S2- -2.000
N3- -3.000