#------------------------------------------------------------------------------
#$Date: 2015-10-14 16:20:27 +0200 (Wed, 14 Oct 2015) $
#$Revision: 168628 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/02/02/2020227.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_2020227
loop_
_publ_author_name
'Cai, G.L.'
'Liu, S.-X.'
'Huang, J.-L.'
_publ_section_title
;
 High-temperature synthesis and structure redetermination of Te4I4
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              2642
_journal_page_last               2644
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'I4 Te4'
_chemical_name_systematic        'Te4 I4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.05
_cell_angle_beta                 104.37
_cell_angle_gamma                90.08
_cell_formula_units_Z            2
_cell_length_a                   8.201
_cell_length_b                   9.952
_cell_length_c                   7.995
_cell_volume                     614.641
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Cai_ACSCEE_1991_1653.cif
_cod_data_source_block           I4Te4
_cod_original_cell_volume        614.6406
_cod_database_code               2020227
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
Te4 Te+1 0.1848 0.1898 -0.269 1 0.0
I4 I-1 0.1826 0.4613 -0.2871 1 0.0
Te2 Te+1 0.3147 0.2884 0.2727 1 0.0
I1 I-1 -0.3095 0.0676 -0.2997 1 0.0
I2 I-1 -0.1566 0.1715 0.3023 1 0.0
I3 I-1 0.319 0.5664 0.2882 1 0.0
Te3 Te+1 0.4776 0.1999 0.0008 1 0.0
Te1 Te+1 0.0046 0.1931 0.0043 1 0.0
