#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/22/2002260.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_2002260
_chemical_name_systematic          'Lanthanum erbium oxide'
_chemical_formula_structural       'La Er O3'
_chemical_formula_sum              'Er La O3'
_publ_section_title
;
Zur Kristallstruktur von La Er O3 und La Lu O3
;
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Graebner, P H'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    386
_journal_year                      1971
_journal_page_first                158
_journal_page_last                 162
_cell_length_a                     6.07
_cell_length_b                     5.85
_cell_length_c                     8.45
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       300.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n a m'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,y,1/2-z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La3+   3.000
  Er3+   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 c 0.051 0.487 0.25 1.  0 d
  Er1   Er3+   4 a 0. 0. 0. 1.  0 d
  O1    O2-    4 c 0.945 0.869 0.25 1.  0 d
  O2    O2-    8 d 0.306 0.205 0.426 1.  0 d
_refine_ls_R_factor_all            0.094
_cod_database_code 2002260