#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002333.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_2002333
_chemical_name_systematic          'Tribarium tetraytterbium oxide'
_chemical_formula_structural       'Ba3 Yb4 O9'
_chemical_formula_sum              'Ba3 O9 Yb4'
_publ_section_title                'Die Struktur von Ba3 Yb4 O9'
loop_
_publ_author_name
  'Krueger, J'
  'Mueller-Buschbaum, Hk'
_journal_name_full                 'Revue de Chimie Minerale'
_journal_volume                    20
_journal_year                      1983
_journal_page_first                456
_journal_page_last                 461
_cell_length_a                     6.042
_cell_length_b                     6.042
_cell_length_c                     24.85899
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       785.9
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'R 3 H'
_symmetry_Int_Tables_number        146
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '1/3+x,2/3+y,2/3+z'
  '2/3+x,1/3+y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '2/3-x+y,1/3-x,1/3+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Yb3+   3.000
  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+   3 a 0. 0. 0. 1.  0 d
  Ba2   Ba2+   3 a 0. 0. 0.1691(4) 1.  0 d
  Ba3   Ba2+   3 a 0. 0. 0.5853(5) 1.  0 d
  Yb1   Yb3+   3 a 0. 0. 0.4404(4) 1.  0 d
  Yb2   Yb3+   3 a 0. 0. 0.8760(5) 1.  0 d
  Yb3   Yb3+   3 a 0. 0. 0.7443(3) 1.  0 d
  Yb4   Yb3+   3 a 0. 0. 0.3154(3) 1.  0 d
  O1    O2-    9 b 0.918(9) 0.692(10) 0.261(1) 1.  0 d
  O2    O2-    9 b 0.969(9) 0.439(9) 0.150(2) 1.  0 d
  O3    O2-    9 b 0.036(8) 0.410(8) 0.042(2) 1.  0 d
_refine_ls_R_factor_all            0.083