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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/7/20/94/7209463.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_7209463
loop_
_publ_author_name
'Krebs, B.'
'Kueper, J.'
'Kuchinke, 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 Cs Li2 S3'
_chemical_name_systematic        'Li2 Cs (B S3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.004
_cell_length_b                   8
_cell_length_c                   8.082
_cell_volume                     646.819
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            boron0-1_176.cif
_cod_data_source_block           B1Cs1Li2S3
_cod_original_cell_volume        646.8186
_cod_original_formula_sum        'B1 Cs1 Li2 S3'
_cod_database_code               7209463
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
S1 S-2 0.04087 0.25 1.01155 1 0.0
S2 S-2 0.2282 0.45113 0.77414 1 0.0
B1 B+3 0.167 0.25 0.8427 1 0.0
Cs1 Cs+1 0.00561 0.75 0.55947 1 0.0
Li1 Li+1 0.3671 0.4594 0.5373 1 0.0
