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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/08/2310823.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_2310823
loop_
_publ_author_name
'Tasman, H.A.'
'Boswijk, K.H.'
_publ_section_title
;
 Re-investigation of the crystal structure of Cs I3
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              59
_journal_page_last               60
_journal_volume                  8
_journal_year                    1955
_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                   6.86
_cell_length_b                   9.98
_cell_length_c                   11.09
_cell_volume                     759.252
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Tasman_ACCRA9_1955_542.cif
_cod_data_source_block           Cs1I3
_cod_original_cell_volume        759.2524
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,z,x)'
_cod_original_formula_sum        'Cs1 I3'
_cod_database_code               2310823
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
I1 I 0.25 0.3598 0.1641 1 0.0
I2 I 0.25 0.55 0.3778 1 0.0
I3 I 0.25 0.7367 0.5697 1 0.0
Cs1 Cs+1 0.25 0.464 0.8259 1 0.0