#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2002439.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_2002439
_chemical_name_systematic          'Barium cobalt dineodymium oxide'
_chemical_formula_structural       'Ba Co Nd2 O5'
_chemical_formula_sum              'Ba Co Nd2 O5'
_publ_section_title
;
Zwei Neue Verbindungen vom Ba Ni Ln2 O5-Typ: Ba Co Nd2 O5 und Ba Co Sm2
O5
;
loop_
_publ_author_name
  'Mevs, H'
  'Mueller-Buschbaum, Hk'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_volume                    152
_journal_year                      1989
_journal_page_first                139
_journal_page_last                 144
_cell_length_a                     3.808(1)
_cell_length_b                     5.956(2)
_cell_length_c                     11.800(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       267.6
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I m m m'
_symmetry_Int_Tables_number        71
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  '-x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
  '-x,y,z'
  'x,-y,z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2+x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Nd3+   3.000
  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
  Ba1   Ba2+   2 a 0. 0. 0. 1.  0 d
  Nd1   Nd3+   4 j 0.5 0. 0.7031(1) 1.  0 d
  Co1   Co2+   2 c 0.5 0.5 0. 1.  0 d
  O1    O2-    2 d 0.5 0. 0.5 1.  0 d
  O2    O2-    8 l 0. 0.756(2) 0.354(1) 1.  0 d
_refine_ls_R_factor_all            0.051
_cod_database_code 2002439