#------------------------------------------------------------------------------
#$Date: 2022-09-28 17:08:17 +0200 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/01/2000148.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_2000148
loop_
_publ_author_name
'Cai, G.-L.'
'Liu, S.-X.'
'Huang, J.-L.'
_publ_section_title
;
 High-temperature synthesis and structure redetermination of Te~4~I~4~
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2642
_journal_page_last               2644
_journal_paper_doi               10.1107/S0108270191005656
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'I4 Te4'
_chemical_formula_weight         1018.02
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.05(2)
_cell_angle_beta                 104.370(10)
_cell_angle_gamma                90.080(10)
_cell_formula_units_Z            2
_cell_length_a                   8.0210(10)
_cell_length_b                   9.952(2)
_cell_length_c                   7.995(2)
_cell_volume                     601.2(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    19.317
_exptl_crystal_density_diffrn    5.500
_exptl_crystal_F_000             840
_cod_data_source_file            he0011.cif
_cod_data_source_block           he0011a
_cod_original_cell_volume        614.7(2)
_cod_database_code               2000148
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
I(1) -.3095(2) .06760(10) -.2997(2)
I(2) -.1566(2) .17150(10) .3023(2)
I(3) .3190(2) .56640(10) .2882(2)
I(4) .1826(2) .46130(10) -.2871(2)
Te(1) .0046(2) .19310(10) .0043(2)
Te(2) .3147(2) .28840(10) .2727(2)
Te(3) .4776(2) .19990(10) .0008(2)
Te(4) .1848(2) .18980(10) -.2690(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
I(1) Te(1) 3.101(2)
I(2) Te(1) 3.043(2)
I(3) Te(2) 2.741(2)
I(4) Te(4) 2.738(2)
Te(1) Te(2) 2.888(2)
Te(1) Te(4) 2.921(2)
Te(2) Te(3) 2.805(2)
Te(3) Te(4) 2.786(2)
