data_6052-ICSD
#©2003 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                6052
_audit_creation_date               1980/01/01
_audit_update_record               2003/04/01
_chemical_name_systematic          'Gold Chloride'
_chemical_formula_structural       'Au Cl'
_chemical_formula_sum              'Au1 Cl1'
_publ_section_title
;
Die Kristalldaten der Goldhalogenide Au Br3 Und Au Cl
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, 
Organische Chemie (2,1947-32,1977)
;
 1974 29 266 267 ZENBAX
loop_
_publ_author_name
'Straehle, J.'
'Loercher, K.P.'
_cell_length_a                     6.739(1)
_cell_length_b                     6.739(1)
_cell_length_c                     8.699(2)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       395.06
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'I 41/a m d Z'
_symmetry_Int_Tables_number        141
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'y+1/4, x+3/4, -z+1/4'
  2	'y+1/4, -x+3/4, -z+1/4'
  3	'x, y+1/2, -z'
  4	'x, -y, -z'
  5	'-y+3/4, x+3/4, -z+1/4'
  6	'-y+3/4, -x+3/4, -z+1/4'
  7	'-x, y+1/2, -z'
  8	'-x, -y, -z'
  9	'-y+3/4, -x+1/4, z+3/4'
 10	'-y+3/4, x+1/4, z+3/4'
 11	'-x, -y+1/2, z'
 12	'-x, y, z'
 13	'y+1/4, -x+1/4, z+3/4'
 14	'y+1/4, x+1/4, z+3/4'
 15	'x, -y+1/2, z'
 16	'x, y, z'
 17	'y+3/4, x+1/4, -z+3/4'
 18	'y+3/4, -x+1/4, -z+3/4'
 19	'x+1/2, y, -z+1/2'
 20	'x+1/2, -y+1/2, -z+1/2'
 21	'-y+1/4, x+1/4, -z+3/4'
 22	'-y+1/4, -x+1/4, -z+3/4'
 23	'-x+1/2, y, -z+1/2'
 24	'-x+1/2, -y+1/2, -z+1/2'
 25	'-y+1/4, -x+3/4, z+1/4'
 26	'-y+1/4, x+3/4, z+1/4'
 27	'-x+1/2, -y, z+1/2'
 28	'-x+1/2, y+1/2, z+1/2'
 29	'y+3/4, -x+3/4, z+1/4'
 30	'y+3/4, x+3/4, z+1/4'
 31	'x+1/2, -y, z+1/2'
 32	'x+1/2, y+1/2, z+1/2'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Au1+  	1
Cl1-  	-1
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Au1 Au1+ 8 c 0 0 0 1. 0 
Cl1 Cl1- 8 e 0 0.25 0.18 1. 0 

#End of data_6052-ICSD


data_22146-ICSD
#©2003 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                22146
_audit_creation_date               1986/10/09
_audit_update_record               1986/10/09
_chemical_name_systematic          'Gold(III) Chloride'
_chemical_formula_structural       'Au Cl3'
_chemical_formula_sum              'Au1 Cl3'
_publ_section_title
;
The crystal structure of gold(III)chloride
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica (1,1948-23,1967)' 1958 11 284 288 ACCRA9
loop_
_publ_author_name
'Clark, E.S.'
'Templeton, D.H.'
'MacGillavry, C.H.'
_cell_length_a                     6.57(3)
_cell_length_b                     11.04(6)
_cell_length_c                     6.44(3)
_cell_angle_alpha                  90.
_cell_angle_beta                   113.3(3)
_cell_angle_gamma                  90.
_cell_volume                       429.02
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_refine_ls_R_factor_all            0.2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'x, -y+1/2, z+1/2'
  2	'-x, -y, -z'
  3	'-x, y+1/2, -z+1/2'
  4	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Au3+  	3
Cl1-  	-1
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_B_iso_or_equiv
Au1 Au3+ 4 e 0.0415(2) 0.0868(1) 0.2337(3) 1. 0 3.3 
Cl1 Cl1- 4 e 0.258(2) 0.003(1) 0.059(2) 1. 0 4.1 
Cl2 Cl1- 4 e 0.335(2) 0.169(1) 0.509(3) 1. 0 4.8 
Cl3 Cl1- 4 e 0.820(2) 0.162(1) 0.395(3) 1. 0 4.9 

#End of data_22146-ICSD


