#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/13/1511323.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_1511323
loop_
_publ_author_name
'Hamann, W.'
'Krebs, B.'
_publ_section_title
;
 Ortho-Thioborates and Ortho-Selenoborates: Synthesis, Structure and
 Properties of Tl3 B S3 and Tl3 B Se3
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              143
_journal_page_last               154
_journal_paper_doi               10.1016/0022-5088(88)90082-3
_journal_volume                  137
_journal_year                    1988
_chemical_formula_sum            'B S3 Tl3'
_chemical_name_systematic        'Tl3 B S3'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.13
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.444
_cell_length_b                   9.699
_cell_length_c                   6.69
_cell_volume                     349.691
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            boron0-1_455.cif
_cod_data_source_block           B1S3Tl3
_cod_original_cell_volume        349.6909
_cod_original_formula_sum        'B1 S3 Tl3'
_cod_database_code               1511323
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
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 0.6772 0.25 0.4384 1 0.0
Tl2 Tl+1 0.7298 0.5553 0.329 1 0.0
B1 B+3 0.396 0.25 0.254 1 0.0
S2 S-2 0.2461 0.0858 0.1722 1 0.0
Tl1 Tl+1 0.8232 0.25 -0.0254 1 0.0
