#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1006034.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_1006034
_chemical_name_systematic          'Dierbium barium nickel oxide'
_chemical_formula_structural       'Er2 Ba Ni O5'
_chemical_formula_sum              'Ba Er2 Ni O5'
_publ_section_title
;
Neutron diffraction study of the magnetic structure of Er~2~BaNiO~5~
;
loop_
_publ_author_name
  'Alonso, J A'
  'Amador, J'
  'Martinez, J L'
  'Rasines, I'
  'Rodriguez-Carvajal, J'
  'Saez-Puche, R'
_journal_name_full                 'Solid State Communications'
_journal_coden_ASTM                SSCOA4
_journal_volume                    76
_journal_year                      1990
_journal_page_first                467
_journal_page_last                 474
_journal_issue                     4
_cell_length_a                     3.7472(1)
_cell_length_b                     5.7293(1)
_cell_length_c                     11.2755(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       242.1
_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
  Er3+   3.000
  Ba2+   2.000
  Ni2+   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 i 0. 0. 0.2027(1) 1.  0 d
  Ba1   Ba2+   2 d 0. 0.5 0. 1.  0 d
  Ni1   Ni2+   2 b 0.5 0. 0. 1.  0 d
  O1    O2-    8 l 0.5 0.2409(4) 0.1483(2) 1.  0 d
  O2    O2-    2 a 0. 0. 0. 1.  0 d
_refine_ls_R_factor_all            0.044