#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2002214.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_2002214
_chemical_name_systematic          'Barium hexasilver oxide'
_chemical_formula_structural       'Ba Ag6 O4'
_chemical_formula_sum              'Ag6 Ba O4'
_publ_section_title                'Zur Kenntnis von Ba Ag6 O4'
loop_
_publ_author_name
  'Keller, H L'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (2,1947-32,1977)
;
_journal_volume                    28
_journal_year                      1973
_journal_page_first                263
_journal_page_last                 267
_cell_length_a                     6.63
_cell_length_b                     12.7
_cell_length_c                     9.09
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       765.4
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n n a'
_symmetry_Int_Tables_number        52
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,-y,z'
  'x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2+x,y,-z'
  '-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Ag1+   1.000
  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
  Ba1   Ba2+   4 c 0.25 0. 0.6208(4) 1.  0 d
  Ag1   Ag1+   4 a 0. 0. 0. 1.  0 d
  Ag2   Ag1+   8 e 0.2038(4) 0.1257(2) 0.2600(4) 1.  0 d
  Ag3   Ag1+   8 e 0.9240(4) 0.2371(2) 0.0311(3) 1.  0 d
  Ag4   Ag1+   4 d 0.6086(6) 0.25 0.25 1.  0 d
  O1    O2-    8 e 0.448(5) 0.126(3) 0.406(4) 1.  0 d
  O2    O2-    8 e 0.914(6) 0.108(3) 0.165(4) 1.  0 d
_refine_ls_R_factor_all            0.105