#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/03/1510362.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_1510362
loop_
_publ_author_name
'Teske, C.L.'
_publ_section_title
;
 Darstellung und Kristallstruktur von Gold-Barium-Thiostannat(IV), Au Ba
 Sn S4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              193
_journal_page_last               201
_journal_paper_doi               10.1002/zaac.19784450124
_journal_volume                  445
_journal_year                    1978
_chemical_formula_sum            'Au2 Ba S4 Sn'
_chemical_name_systematic        'Au2 Ba (Sn S4)'
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.982
_cell_length_b                   11.093
_cell_length_c                   6.652
_cell_volume                     810.369
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            gold_437.cif
_cod_data_source_block           Au2Ba1S4Sn1
_cod_original_cell_volume        810.3688
_cod_original_formula_sum        'Au2 Ba1 S4 Sn1'
_cod_database_code               1510362
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,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
Au3 Au+1 0.4017 0.4066 0.2631 0.56 0.0
S2 S-2 0.0083 0.322 0.9551 1 0.0
S1 S-2 0.178 0.4917 0.5449 1 0.0
Sn2 Sn+4 0 0 0.24 0.56 0.0
Sn3 Sn+4 0.5 0.5 0.258 0.44 0.0
Au1 Au+1 0.095 0.405 0.25 1 0.0
Sn1 Sn+4 0.5 0 0.25 1 0.0
Ba1 Ba+2 0.269 0.231 0.75 1 0.0
S4 S-2 0.5095 0.3209 0.5 1 0.0
S3 S-2 0.1791 0.9905 0 1 0.0
Au2 Au+1 0.0934 0.0983 0.2369 0.44 0.0
