#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/77/1527789.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_1527789
loop_
_publ_author_name
'Meerschaut, A.'
'Guemas, L.'
'Rouxel, J.'
_publ_section_title
;
 Structure and properties of the new phase of the pseudo one-dimensional
 compound Ta S3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              118
_journal_page_last               123
_journal_volume                  36
_journal_year                    1981
_chemical_formula_sum            'S3 Ta'
_chemical_name_systematic        'Ta 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                 109.99
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   9.515
_cell_length_b                   3.3412
_cell_length_c                   14.912
_cell_volume                     445.513
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Meerschaut_JSSCBI_1981_1331.cif
_cod_data_source_block           S3Ta1
_cod_original_cell_volume        445.5132
_cod_original_formula_sum        'S3 Ta1'
_cod_database_code               1527789
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
S8 S 0.5553 0.25 0.5943 1 0.0
Ta1 Ta 0.64153 0.25 0.11909 1 0.0
S5 S 0.1785 0.25 0.2765 1 0.0
S9 S 0.758 0.25 0.4309 1 0.0
Ta2 Ta 0.69498 0.25 0.79811 1 0.0
S2 S 0.1693 0.25 0.8971 1 0.0
S1 S 0.5649 0.25 0.9366 1 0.0
S3 S 0.2007 0.25 0.764 1 0.0
S6 S 0.5162 0.25 0.2465 1 0.0
S7 S 0.9104 0.25 0.5685 1 0.0
S4 S 0.1656 0.25 0.0837 1 0.0
Ta3 Ta 0.29736 0.25 0.45911 1 0.0
