#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/14/1511441.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_1511441
loop_
_publ_author_name
'Hiltmann, F.'
'Krebs, B.'
_publ_section_title
;
 Li Ba B S3 und Li Ba B3 S6: zwei neue quaternaere thioborate mit
 trigonal-planar koordiniertem Bor
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              424
_journal_page_last               430
_journal_paper_doi               10.1002/zaac.19956210315
_journal_volume                  621
_journal_year                    1995
_chemical_formula_sum            'B Ba Li S3'
_chemical_name_systematic        'Li Ba (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                 116.22
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.577
_cell_length_b                   8.713
_cell_length_c                   8.687
_cell_volume                     514.491
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron0-1_66.cif
_cod_data_source_block           B1Ba1Li1S3
_cod_original_formula_sum        'B1 Ba1 Li1 S3'
_cod_database_code               1511441
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
S3 S-2 0.38451 0.82848 0.49249 1 0.0
Li1 Li+1 0.8885 0.426 0.2958 1 0.0
Ba1 Ba+2 0.31313 0.368 0.18733 1 0.0
S2 S-2 0.01416 0.65688 0.21075 1 0.0
B1 B+3 0.229 0.6591 0.4205 1 0.0
S1 S-2 0.28632 0.48327 0.54656 1 0.0
