#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/27/2002729.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_2002729
_chemical_name_systematic          'Tribarium gadolinium diruthenium nonaoxide'
_chemical_formula_structural       'Ba3 Gd Ru2 O9'
_chemical_formula_sum              'Ba3 Gd O9 Ru2'
_publ_section_title
;
Einkristall-Roentgenstrukturanalyse und magnetische Eigenschaften von
Ba3 Y Ru2 O9, Ba3 Gd Ru2 O9 und Ba3 Yb Ru2 O9
;
loop_
_publ_author_name
  'Rath, M'
  'Mueller-Buschbaum, Hk'
_journal_name_full                 'Journal of Alloys Compd.'
_journal_volume                    210
_journal_year                      1994
_journal_page_first                119
_journal_page_last                 123
_cell_length_a                     5.870(1)
_cell_length_b                     5.870(1)
_cell_length_c                     14.464(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       431.6
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63/m m c'
_symmetry_Int_Tables_number        194
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
  'x,y,1/2-z'
  '-y,x-y,1/2-z'
  'y-x,-x,1/2-z'
  '-y,-x,1/2-z'
  'y-x,y,1/2-z'
  'x,x-y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Gd3+   3.000
  Ru4+   4.500
  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+   2 b 0. 0. 0.25 1.  0 d
  Ba2   Ba2+   4 f 0.3333 0.6667 0.9036(2) 1.  0 d
  Gd1   Gd3+   2 a 0. 0. 0. 1.  0 d
  Ru1   Ru4+   4 f 0.3333 0.6667 0.1633(2) 1.  0 d
  O1    O2-   12 j 0.492(3) 0.0167(6) 0.25 0.5  0 d
  O2    O2-   24 l 0.168(16) 0.351(4) 0.411(1) 0.5  0 d
_refine_ls_R_factor_all            0.069
_cod_database_code 2002729