#------------------------------------------------------------------------------
#$Date: 2014-07-11 17:04:56 +0100 (Fri, 11 Jul 2014) $
#$Revision: 120072 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/25/2002591.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_2002591
_chemical_name_systematic          'Tetrabarium dioxoargentate tetraoxoaurate'
_chemical_formula_structural       'Ba4 (Ag O2) (Au O4)'
_chemical_formula_sum              'Ag Au Ba4 O6'
_publ_section_title
;
Zur Kenntnis eines Oxoargentato(I)-aurats(III):Ba4 Ag Au O6
;
loop_
_publ_author_name
  'Weinreich, J'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    617
_journal_year                      1992
_journal_page_first                27
_journal_page_last                 30
_cell_length_a                     13.2751(33)
_cell_length_b                     5.7820(15)
_cell_length_c                     11.3961(22)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       874.7
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C m c m'
_symmetry_Int_Tables_number        63
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  'x,y,1/2-z'
  'x,-y,1/2+z'
  '-x,-y,-z'
  '-x,y,z'
  '-x,-y,1/2+z'
  '-x,y,1/2-z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Au3+   3.000
  Ag1+   1.000
  Ba2+   2.000
  O2-   -2.000
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_calc_flag
  Au1   Au3+   4 a 0. 0. 0. 1.  0 d
  Ag1   Ag1+   4 c 0. 0.5967(6) 0.75 1.  0 d
  Ba1   Ba2+   8 e 0.3533(1) 0. 0.5 1.  0 d
  Ba2   Ba2+   8 g 0.3545(1) 0.4312(4) 0.25 1.  0 d
  O1    O2-    8 e 0.845(2) 0. 0. 1.  0 d
  O2    O2-    8 f 0. 0.269(4) 0.609(2) 1.  0 d
  O3    O2-    8 g 0.162(2) 0.398(4) 0.25 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Au1   0.0013(5) 0. 0. 0.0096(6) 0.0011(5) 0.0090(6)
  Ag1   0.0033(12) 0. 0. 0.0125(15) 0. 0.0133(13)
  Ba1   0.0022(6) 0. 0. 0.0114(7) 0.0011(6) 0.0137(7)
  Ba2   0.0024(6) 0.0001(6) 0. 0.0126(7) 0. 0.0107(5)
_refine_ls_R_factor_all            0.069
_cod_database_code 2002591
_journal_paper_doi 10.1002/zaac.19926170105