#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/00/1010073.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_1010073
loop_
_publ_author_name
'Wyckoff, R W G'
_publ_section_title
;
The Crystal Structure of Cesium Dichloro-Iodide
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1100
_journal_page_last               1116
_journal_paper_doi               10.1021/ja01451a005
_journal_volume                  42
_journal_year                    1920
_chemical_formula_structural     'CS I CL2'
_chemical_formula_sum            'Cl2 Cs I'
_chemical_name_systematic        'CAESIUM DICHLOROIODATE(I)'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                98.37
_cell_angle_beta                 98.37
_cell_angle_gamma                98.37
_cell_formula_units_Z            1
_cell_length_a                   4.06
_cell_length_b                   4.06
_cell_length_c                   4.06
_cell_volume                     64.5
_cod_original_sg_symbol_H-M      'R -3 m R'
_cod_database_code               1010073
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,x,z
y,z,x
x,z,y
z,x,y
z,y,x
-x,-y,-z
-y,-x,-z
-y,-z,-x
-x,-z,-y
-z,-x,-y
-z,-y,-x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Cs1 Cs1+ 1 a 0. 0. 0. 1. 0 d
I1 I1+ 1 b 0.5 0.5 0.5 1. 0 d
Cl1 Cl1- 2 c 0.312 0.312 0.312 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cs1+ 1.000
I1+ 1.000
Cl1- -1.000
