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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/1/52/71/1527148.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_1527148
loop_
_publ_author_name
'Bjorvatten, T.'
'Lindheim, A.'
'Hassel, O.'
_publ_section_title
;
 Crystal structure of the addition compound Sb I3:3 S8
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              689
_journal_page_last               702
_journal_volume                  17
_journal_year                    1963
_chemical_formula_sum            'I3 S24 Sb'
_chemical_name_systematic        '(Sb I3) (S8)3'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   24.817
_cell_length_b                   24.817
_cell_length_c                   4.4279
_cell_volume                     2361.712
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Bjorvatten_ACSAA4_1963_991.cif
_cod_data_source_block           I3S24Sb1
_cod_original_formula_sum        'I3 S24 Sb1'
_cod_database_code               1527148
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
S2 S -0.0836 0.2165 -0.0523 1 0.0
I1 I-1 -0.0551 0.0551 0 1 0.0
Sb1 Sb+3 0 0 0.3146 1 0.0
S5 S -0.242 0.242 -0.3065 1 0.0
S3 S -0.0926 0.2825 -0.2876 1 0.0
S4 S -0.1595 0.2937 -0.0796 1 0.0
S1 S -0.1339 0.1339 -0.277 1 0.0
