#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/06/1510637.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_1510637
loop_
_publ_author_name
'Wulff, M.'
'Krebs, B.'
'Hammerschmidt, A.'
'Doech, M.'
_publ_section_title
;
 Ba B2 S4 : das erste nicht-oxidische Chalkogenoborat mit trigonal-planar
 und tetraedrisch koordiniertem Bor
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2637
_journal_page_last               2640
_journal_paper_doi
10.1002/1521-3749(200212)628:12<2637::AID-ZAAC2637>3.0.CO;2-0
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'B2 Ba S4'
_chemical_name_systematic        'Ba (B2 S4)'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.961
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.6465
_cell_length_b                   15.6995
_cell_length_c                   6.0306
_cell_volume                     587.631
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron_12.cif
_cod_data_source_block           B2Ba1S4
_cod_original_cell_volume        587.6307
_cod_original_formula_sum        'B2 Ba1 S4'
_cod_database_code               1510637
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,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
S1 S-2 0.7928 0.48576 0.24226 1 0.0
B1 B+3 0.735 0.1337 0.3722 1 0.0
B2 B+3 0.9716 0.4799 0.0581 1 0.0
S2 S-2 0.0629 0.36328 0.0488 1 0.0
Ba1 Ba+2 0.54874 0.3463 0.46562 1 0.0
S4 S-2 0.23332 0.45198 0.6695 1 0.0
S3 S-2 0.93104 0.2159 0.4256 1 0.0
