#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/07/1510745.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_1510745
loop_
_publ_author_name
'Jansen, C.'
'Krebs, B.'
'Kueper, J.'
_publ_section_title
;
 Na2 B2 S5 and Li2 B2 S5: Two novel perthioborates with planar
 1,2,4-trithia-3,5-diborolane rings
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1322
_journal_page_last               1329
_journal_paper_doi               10.1002/zaac.19956210809
_journal_volume                  621
_journal_year                    1995
_chemical_formula_sum            'B2 Li2 S5'
_chemical_name_systematic        'Li2 (B2 S5)'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.864
_cell_length_b                   6.433
_cell_length_c                   6.862
_cell_volume                     700.288
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron_236.cif
_cod_data_source_block           B2Li2S5
_cod_original_cell_volume        700.2885
_cod_database_code               1510745
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-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
B1 B+3 0.08731 0.3594 0.75 1 0.0
S2 S-1 -0.06546 0.63526 0.75 1 0.0
Li1 Li+1 0.2288 0 0.5 1 0.0
S1 S-1 0 0.17916 0.75 1 0.0
S3 S-1 0.19537 0.27423 0.75 1 0.0
