#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/14/1511421.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_1511421
loop_
_publ_author_name
'Krebs, B.'
'Hammerschmidt, A.'
'Kuchinke, J.'
_publ_section_title
;
 Rb8 (B12 (B S3)6) and Cs8 (B12 (B S3)6): the first
 thioborato-closo-dodecaborates
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              189
_journal_page_last               196
_journal_paper_doi               10.1016/S1293-2558(02)00093-6
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'B18 Cs8 S18'
_chemical_name_systematic        'Cs8 (B12 (B S3)6)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.64
_cell_angle_beta                 91.91
_cell_angle_gamma                109.51
_cell_formula_units_Z            1
_cell_length_a                   10.33
_cell_length_b                   10.369
_cell_length_c                   10.833
_cell_volume                     1054.885
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            boron0-1_567.cif
_cod_data_source_block           B18Cs8S18
_cod_database_code               1511421
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
B5 B 0.1418 -0.047 0.0229 1 0.0
B2 B -0.0246 0.1235 0.1239 1 0.0
Cs3 Cs+1 0.61938 0.75391 0.47022 1 0.0
B7 B+3 0.1804 0.3552 0.3044 1 0.0
S9 S-2 0.36818 -0.09594 0.3658 1 0.0
S8 S-2 0.332 0.46793 0.79726 1 0.0
S5 S-2 0.28908 -0.08914 0.08371 1 0.0
B4 B 0.1354 0.0614 -0.083 1 0.0
S7 S-2 0.2594 0.50337 0.4343 1 0.0
Cs1 Cs+1 0.00981 0.6506 0.38082 1 0.0
B8 B+3 0.2309 0.325 0.8549 1 0.0
Cs2 Cs+1 0.36968 0.61493 0.12929 1 0.0
B6 B 0.0418 -0.0083 0.1468 1 0.0
B9 B+3 0.2569 -0.0725 0.2543 1 0.0
S2 S-2 -0.01076 0.27226 0.26571 1 0.0
S6 S-2 0.1067 -0.02336 0.30275 1 0.0
S4 S-2 0.27112 0.15955 0.83113 1 0.0
B1 B 0.1433 0.129 0.0852 1 0.0
B3 B 0.0317 0.1633 -0.02 1 0.0
Cs4 Cs+1 0.37882 0.8165 0.7542 1 0.0
S1 S-2 0.28517 0.27812 0.19444 1 0.0
S3 S-2 0.08411 0.33738 -0.0576 1 0.0
