#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/71/2107143.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_2107143
loop_
_publ_author_name
'Runsink, J.'
'Swen-Walstra, S.'
'Migchelsen, T.'
_publ_section_title
;
 Refinement of the crystal structures of (C6 H5)4 As I3 and Cs I3 at 20 C
 and at -160 C
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1331
_journal_page_last               1335
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Cs I3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.751
_cell_length_b                   9.963
_cell_length_c                   10.997
_cell_volume                     739.661
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Runsink_ACBCAR_1972_1743.cif
_cod_data_source_block           Cs1I3
_cod_original_cell_volume        739.6606
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,z,x)'
_cod_original_formula_sum        'Cs1 I3'
_cod_database_code               2107143
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y,-z
-x,-y,-z
x,-y-1/2,z-1/2
x-1/2,y-1/2,-z-1/2
-x-1/2,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
Cs1 Cs+1 0.25 0.46639 0.82872 1 0.0
I1 I 0.25 0.35763 0.16272 1 0.0
I2 I 0.25 0.54967 0.37731 1 0.0
I3 I 0.25 0.73692 0.57225 1 0.0
