#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/88/2018866.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2018866
loop_
_publ_author_name
'Jentsch, D.'
'Jones, P.G.'
'Schwarzmann, E.'
_publ_section_title
;
 Trichlorosulfonium(IV) Tetrachloroaurate(III)
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              210
_journal_page_last               212
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'Au Cl7 S'
_chemical_name_systematic        '(S Cl3) (Au Cl4)'
_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                 107.88
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.637
_cell_length_b                   10.24
_cell_length_c                   11.618
_cell_volume                     977.901
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            gold_147.cif
_cod_data_source_block           Au1Cl7S1
_cod_original_cell_volume        977.9014
_cod_original_formula_sum        'Au1 Cl7 S1'
_cod_database_code               2018866
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
Cl5 Cl-1 0.1018 0.0964 0.3542 1 0.0
Au1 Au+3 0.2171 0.5961 0.5355 1 0.0
Cl2 Cl-1 0.1399 0.4616 0.3695 1 0.0
Cl6 Cl-1 0.304 0.0664 0.6234 1 0.0
Cl4 Cl-1 0.2938 0.7301 0.6983 1 0.0
Cl7 Cl-1 0.4451 0.205 0.4428 1 0.0
S1 S+4 0.2438 0.1967 0.4918 1 0.0
Cl3 Cl-1 0.0581 0.7584 0.4252 1 0.0
Cl1 Cl-1 0.3849 0.4388 0.6485 1 0.0
