#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/26/2002618.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_2002618
_chemical_name_systematic          'Barium cobalt dierbium oxide'
_chemical_formula_structural       'Ba Co Er2 O5'
_chemical_formula_sum              'Ba Co Er2 O5'
_publ_section_title
;
Ueber eine neu entdeckte Dimorphie an Ba Co Er2 O5
;
loop_
_publ_author_name
  'Kluever, E'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    619
_journal_year                      1993
_journal_page_first                421
_journal_page_last                 423
_cell_length_a                     12.2787(85)
_cell_length_b                     5.6826(32)
_cell_length_c                     7.0344(32)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       490.8
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_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,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Er3+   3.000
  Ba2+   2.000
  Co2+   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
  Er1   Er3+   4 c 0.2912(1) 0.25 0.1206(2) 1.  0 d
  Er2   Er3+   4 c 0.0742(1) 0.25 0.3989(2) 1.  0 d
  Ba1   Ba2+   4 c 0.9013(1) 0.25 0.9239(3) 1.  0 d
  Co1   Co2+   4 c 0.6534(3) 0.25 0.6955(6) 1.  0 d
  O1    O2-    8 d 0.434(1) 0.995(2) 0.169(2) 1.  0 d
  O2    O2-    8 d 0.225(1) 0.499(3) 0.362(2) 1.  0 d
  O3    O2-    4 c 0.103(2) 0.25 0.072(3) 1.  0 d
_refine_ls_R_factor_all            0.056
_cod_database_code 2002618