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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/09/2310999.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_2310999
loop_
_publ_author_name
'van den Berg, J.M.'
_publ_section_title
;
 The crystal structure of the room-temperature modification of indium
 chloride, In Cl
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              905
_journal_page_last               910
_journal_volume                  20
_journal_year                    1966
_chemical_formula_sum            'Cl In'
_chemical_name_systematic        'In Cl'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   12.368
_cell_length_b                   12.368
_cell_length_c                   12.368
_cell_volume                     1891.901
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            vandenBerg_ACCRA9_1966_1039.cif
_cod_data_source_block           Cl1In1
_cod_original_formula_sum        'Cl1 In1'
_cod_database_code               2310999
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
z,x,y
-z+1/2,-x,y+1/2
z+1/2,-x+1/2,-y
-z,x+1/2,-y+1/2
y,z,x
y+1/2,-z+1/2,-x
-y,z+1/2,-x+1/2
-y+1/2,-z,x+1/2
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
In1 In+1 0.2487 0.2212 -0.0292 1 0.0
Cl2 Cl-1 0.05 -0.0097 0.8025 1 0.0
Cl4 Cl-1 0.7983 0.7983 0.7983 1 0.0
In3 In+1 0.032 0.032 0.032 1 0.0
Cl3 Cl-1 0.2029 0.2029 0.2029 1 0.0
In4 In+1 0.469 0.469 0.469 1 0.0
Cl1 Cl-1 -0.0528 0.004 0.304 1 0.0
In2 In+1 0.752 0.778 0.028 1 0.0
