#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002320.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_2002320
_chemical_name_systematic          'Barium tetralutetium oxide'
_chemical_formula_structural       'Ba3 Lu4 O9'
_chemical_formula_sum              'Ba3 Lu4 O9'
_publ_section_title
;
Ba3 Lu4 O9: Synthese und Strukturuntersuchung
;
loop_
_publ_author_name
  'Krueger, J'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    512
_journal_year                      1984
_journal_page_first                59
_journal_page_last                 64
_cell_length_a                     6.03
_cell_length_b                     6.03
_cell_length_c                     24.75299
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       779.5
_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
  Lu3+   3.000
  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
  Lu1   Lu3+   3 a 0. 0. 0.4373(6) 1.  0 d
  Ba1   Ba2+   3 a 0. 0. 0. 1.  0 d
  Lu2   Lu3+   3 a 0. 0. 0.8680(4) 1.  0 d
  Ba2   Ba2+   3 a 0. 0. 0.1747(5) 1.  0 d
  Lu3   Lu3+   3 a 0. 0. 0.7331(5) 1.  0 d
  Lu4   Lu3+   3 a 0. 0. 0.3178(4) 1.  0 d
  Ba3   Ba2+   3 a 0. 0. 0.5868(9) 1.  0 d
  O1    O2-    9 b 0.889(9) 0.664(11) 0.257(2) 1.  0 d
  O2    O2-    9 b 0.973(12) 0.426(12) 0.139(3) 1.  0 d
  O3    O2-    9 b 0.020(11) 0.460(9) 0.036(2) 1.  0 d
_refine_ls_R_factor_all            0.098