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#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/94/7209464.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_7209464
loop_
_publ_author_name
'Kuchinke, J.'
'Krebs, B.'
'Kueper, J.'
_publ_section_title
;
 Novel thioborates of cesium: Cs3 B S3 and Li2 Cs B S3
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische
 Chemie (42,1987-)
;
_journal_page_first              1433
_journal_page_last               1438
_journal_volume                  57
_journal_year                    2002
_chemical_formula_sum            'B Cs3 S3'
_chemical_name_systematic        'Cs3 (B S3)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.311
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.3973
_cell_length_b                   6.6599
_cell_length_c                   13.6181
_cell_volume                     924.669
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            boron0-1_182.cif
_cod_data_source_block           B1Cs3S3
_cod_original_cell_volume        924.6695
_cod_original_formula_sum        'B1 Cs3 S3'
_cod_database_code               7209464
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-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
Cs3 Cs+1 0.26438 0.15727 -0.01001 1 0.0
B1 B+3 0.2351 0.6316 0.1256 1 0.0
S1 S-2 0.34571 0.664 0.03788 1 0.0
Cs1 Cs+1 0.3979 0.95278 0.29709 1 0.0
Cs2 Cs+1 0.03995 0.77642 0.35755 1 0.0
S3 S-2 0.27595 0.448 0.22813 1 0.0
S2 S-2 0.08919 0.788 0.11503 1 0.0
