#------------------------------------------------------------------------------
#$Date: 2016-02-16 21:30:59 +0100 (mar 16 de feb de 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/14/4331411.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_4331411
loop_
_publ_author_name
'Deudon, C.'
'Cunin, F.'
'Mula, B.'
'Favier, F.'
'Pascal, J.L.'
_publ_section_title
;
 First anhydrous gold perchlorato complex: Cl O2 Au (Cl O4)4. Synthesis
 and molecular and crystal structure analysis
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4173
_journal_page_last               4178
_journal_paper_doi               10.1021/ic020161z
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'Au Cl5 O18'
_chemical_name_systematic        '(Cl O2) (Au (Cl O4)4)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 128.325
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.0474
_cell_length_b                   5.2944
_cell_length_c                   22.202
_cell_volume                     1387.607
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            gold_145.cif
_cod_data_source_block           Au1Cl5O18
_cod_original_formula_sum        'Au1 Cl5 O18'
_cod_database_code               4331411
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
Au1 Au+3 0 0 0.5 1 0.0
Cl1 Cl+7 0.101 0.0274 0.6705 1 0.0
O7 O-2 0.0234 -0.0891 0.5902 1 0.0
O6 O-2 0.8324 0.4358 0.5207 1 0.0
Cl3 Cl+7 0.8116 0.3714 0.4547 1 0.0
O5 O-2 0.8361 0.092 0.4527 1 0.0
O1 O-2 0.865 0.528 0.4362 1 0.0
O8 O-2 0.0641 0.2828 0.6579 1 0.0
O9 O-2 0.1029 0.616 0.8123 1 0.0
O3 O-2 0.2072 0.0144 0.6943 1 0.0
O2 O-2 0.079 -0.0927 0.7132 1 0.0
Cl2 Cl+5 0 0.509 0.75 1 0.0
O4 O-2 0.6101 0.3913 0.3917 1 0.0
