#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2002242.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_2002242
_chemical_name_systematic          'Lanthanum ytterbium oxide'
_chemical_formula_structural       'La Yb O3'
_chemical_formula_sum              'La O3 Yb'
_publ_section_title
;
Zur Kenntnis der Kristallstruktur von La Yb O3
;
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Teske, C L'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    369
_journal_year                      1969
_journal_page_first                255
_journal_page_last                 263
_cell_length_a                     6.01
_cell_length_b                     5.81
_cell_length_c                     8.39
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       293.0
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n a 21'
_symmetry_Int_Tables_number        33
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La3+   3.000
  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
  La1   La3+   4 a 0.0532 -0.4866 0.5 1.  0 d
  Yb1   Yb3+   4 a 0.0007 -0.0015 0.744 1.  0 d
  O1    O2-    4 a 0.34 -0.206 0.704 1.  0 d
  O2    O2-    4 a 0.286 -0.193 0.299 1.  0 d
  O3    O2-    4 a 0.104 -0.104 0.975 1.  0 d
_refine_ls_R_factor_all            0.077