#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/80/9008098.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9008098
loop_
_publ_author_name
'Trotter, J.'
_publ_section_title
;
 The crystal structure of arsenic triiodide, AsI3
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              81
_journal_page_last               86
_journal_volume                  121
_journal_year                    1965
_chemical_formula_structural     AsI3
_chemical_formula_sum            'As I3'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                51.683
_cell_angle_beta                 51.683
_cell_angle_gamma                51.685
_cell_length_a                   8.269
_cell_length_b                   8.269
_cell_length_c                   8.269
_cell_formula_units_Z            2
_cell_volume                     321.561
_database_code_amcsd             0010611
_exptl_crystal_density_diffrn    4.706
_cod_original_cell_volume        321.562
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               9008098
_amcsd_formula_title             AsI3
loop_
_space_group_symop_operation_xyz
x,y,z
-z,-x,-y
y,z,x
-x,-y,-z
z,x,y
-y,-z,-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
As 0.19850 0.19850 0.19850 0.05699
I 0.43070 0.06700 -0.25110 0.06079
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010611