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#$Date: 2025-08-18 16:20:24 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301776 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/03/1510399.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_1510399
loop_
_publ_author_name
'Aubke, F.'
'Willner, H.'
'Rettig, S.J.'
'Trotter, J.'
_publ_section_title
;
 The crystal and molecular structure of gold tris(fluorosulfate)
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              391
_journal_page_last               396
_journal_paper_doi               10.1139/v91-060
_journal_volume                  69
_journal_year                    1991
_chemical_formula_sum            'Au2 F6 O18 S6'
_chemical_name_systematic        'Au2 (S O3 F)6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.43
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.7
_cell_length_b                   9.222
_cell_length_c                   10.81
_cell_volume                     964.102
_citation_journal_id_ASTM        CJCHAG
_cod_data_source_file            gold_489.cif
_cod_data_source_block           Au2F6O18S6
_cod_original_cell_volume        964.1024
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_database_code               1510399
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-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
O9 O-2 0.277 0.3 0.366 1 0.0
S1 S+6 0.1512 0.6023 0.8883 1 0.0
O4 O-2 0.2983 0.6473 0.1854 1 0.0
F3 F-1 0.063 0.297 0.423 1 0.0
F2 F-1 0.483 0.606 0.329 1 0.0
S2 S+6 0.4497 0.611 0.1901 1 0.0
Au1 Au+3 0.1506 0.50212 0.16969 1 0.0
O8 O-2 0.204 0.41 0.546 1 0.0
F1 F-1 0.2016 0.5177 0.7814 1 0.0
O3 O-2 0.2351 0.7225 -0.0904 1 0.0
O5 O-2 0.473 0.471 0.148 1 0.0
S3 S+6 0.1936 0.3831 0.4273 1 0.0
O1 O-2 0.1556 0.4881 -0.0164 1 0.0
O7 O-2 0.139 0.5105 0.3494 1 0.0
O2 O-2 0.0082 0.6393 0.8457 1 0.0
O6 O-2 0.5208 0.732 0.15 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139040866
