#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/25/2002533.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_2002533
_chemical_name_systematic          'Barium manganese didysprosium oxide'
_chemical_formula_structural       'Ba Mn Dy2 O5'
_chemical_formula_sum              'Ba Dy2 Mn O5'
_publ_section_title
;
Die erste Verbindung mit Mn2+ der Stoffklasse Ba M Ln2 O5: Ba Mn Dy2 O5
;
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Kluever, E'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    612
_journal_year                      1992
_journal_page_first                14
_journal_page_last                 16
_cell_length_a                     12.4284(51)
_cell_length_b                     5.7659(31)
_cell_length_c                     7.1431(40)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       511.9
_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
  Ba2+   2.000
  Mn2+   2.000
  Dy3+   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
  Ba1   Ba2+   4 c 0.9002(1) 0.25 0.9213(2) 1.  0 d
  Mn1   Mn2+   4 c 0.6522(3) 0.25 0.6933(5) 1.  0 d
  Dy1   Dy3+   4 c 0.2933(1) 0.25 0.1236(2) 1.  0 d
  Dy2   Dy3+   4 c 0.0742(1) 0.25 0.3986(2) 1.  0 d
  O1    O2-    8 d 0.433(1) 0.998(2) 0.166(1) 1.  0 d
  O2    O2-    8 d 0.225(1) 0.503(2) 0.362(1) 1.  0 d
  O3    O2-    4 c 0.100(1) 0.25 0.080(2) 1.  0 d
_refine_ls_R_factor_all            0.047
_cod_database_code 2002533