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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/22/1542246.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_1542246
loop_
_publ_author_name
'Sirota, M.I.'
'Simonov, M.A.'
'Egorov-Tismenko, Yu.K.'
'Belov, N.V.'
'Simonov, V.I.'
_publ_section_title
;
 Crystal structure of Cs Sb6 S8 I4
;
_journal_name_full               Kristallografiya
_journal_page_first              64
_journal_page_last               68
_journal_volume                  21
_journal_year                    1976
_chemical_formula_sum            'Cd I4 S8 Sb6'
_chemical_name_systematic        'Cd Sb6 S8 I4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                133.61
_cell_angle_beta                 86.28
_cell_angle_gamma                89.11
_cell_formula_units_Z            1
_cell_length_a                   8.862
_cell_length_b                   8.913
_cell_length_c                   9.487
_cell_volume                     539.537
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Sirota_KRISAJ_1976_48.cif
_cod_data_source_block           Cd1I4S8Sb6
_cod_original_cell_volume        539.5369
_cod_original_formula_sum        'Cd1 I4 S8 Sb6'
_cod_database_code               1542246
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-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
Cd1 Cd+2 0 0 0 1 0.0
I2 I-1 0.32333 0.4983 0.3523 1 0.0
S4 S-2 0.6897 0.0732 0.0834 1 0.0
Sb1 Sb+3 0.70394 0.4365 0.21292 1 0.0
S3 S-2 0.6401 0.296 0.8958 1 0.0
Sb2 Sb+3 0.35724 0.1024 0.25351 1 0.0
S1 S-2 0.0751 0.1521 0.3451 1 0.0
S2 S-2 0.017 0.6362 0.9113 1 0.0
Sb3 Sb+3 0.07583 0.8062 0.2451 1 0.0
I1 I-1 0.28216 0.1016 0.6545 1 0.0
