data_150666-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                150666
_audit_creation_date               2006/04/01
_audit_update_record               2008/02/01
_chemical_name_systematic          'Gold Copper (1/3) - Ordered'
_chemical_formula_structural       'Au Cu3'
_chemical_formula_sum              'Au1 Cu3'
_publ_section_title
;
Elastic constants of ordered and disordered Cu3 Au from 4.2 to 300 K
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Physics and Chemistry of Solids' 1960 15 189 195 PCSOA7
_publ_author_name
;
Flinn, P.A.;McManus, G.M.;Rayne, J.A.
;
_cell_length_a                     3.7426(3)
_cell_length_b                     3.7426(3)
_cell_length_c                     3.7426(3)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       52.42
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P m -3 m'
_symmetry_Int_Tables_number        221
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'z, y, -x'
  2	'y, x, -z'
  3	'x, z, -y'
  4	'z, x, -y'
  5	'y, z, -x'
  6	'x, y, -z'
  7	'z, -y, x'
  8	'y, -x, z'
  9	'x, -z, y'
 10	'z, -x, y'
 11	'y, -z, x'
 12	'x, -y, z'
 13	'-z, y, x'
 14	'-y, x, z'
 15	'-x, z, y'
 16	'-z, x, y'
 17	'-y, z, x'
 18	'-x, y, z'
 19	'-z, -y, -x'
 20	'-y, -x, -z'
 21	'-x, -z, -y'
 22	'-z, -x, -y'
 23	'-y, -z, -x'
 24	'-x, -y, -z'
 25	'-z, -y, x'
 26	'-y, -x, z'
 27	'-x, -z, y'
 28	'-z, -x, y'
 29	'-y, -z, x'
 30	'-x, -y, z'
 31	'-z, y, -x'
 32	'-y, x, -z'
 33	'-x, z, -y'
 34	'-z, x, -y'
 35	'-y, z, -x'
 36	'-x, y, -z'
 37	'z, -y, -x'
 38	'y, -x, -z'
 39	'x, -z, -y'
 40	'z, -x, -y'
 41	'y, -z, -x'
 42	'x, -y, -z'
 43	'z, y, x'
 44	'y, x, z'
 45	'x, z, y'
 46	'z, x, y'
 47	'y, z, x'
 48	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Au0+	0
Cu0+	0
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 Au0+ 1 a 0. 0. 0. 1. 0 
Cu2 Cu0+ 3 c 0. 0.5 0.5 1. 0 

#End of data_150666-ICSD


