#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/63/1526370.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_1526370
loop_
_publ_author_name
'Rocker, F.'
'Tremel, W.'
_publ_section_title
;
 Synthesis and structure of Th Te2 I2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1305
_journal_page_last               1308
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'I2 Te2 Th'
_chemical_name_systematic        'Th Te2 I2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.27
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.642
_cell_length_b                   14.336
_cell_length_c                   7.727
_cell_volume                     788.872
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Rocker_ZAACAB_2001_1998.cif
_cod_data_source_block           I2Te2Th1
_cod_original_cell_volume        788.8721
_cod_original_formula_sum        'I2 Te2 Th1'
_cod_database_code               1526370
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+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
Te1 Te-1 0.1343 0 0.3451 1 0.0
Th1 Th+4 0 0.1415 0 1 0.0
Te2 Te-1 0.6537 0 0.875 1 0.0
I1 I-1 0.2289 0.2077 0.7451 1 0.0
