#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008160.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_1008160
_chemical_name_systematic          'Neodymium chromium oxide'
_chemical_formula_structural       'Nd Cr O3'
_chemical_formula_sum              'Cr Nd O3'
_publ_section_title
;
Etude de la Structure Magnetique des Chromites d'Erbium et de Neodyme
par Diffraction Neutronique
;
loop_
_publ_author_name
  'Bertaut, E F'
  'Mareschal, J'
_journal_name_full                 'Solid State Communications'
_journal_coden_ASTM                SSCOA4
_journal_volume                    5
_journal_year                      1967
_journal_page_first                93
_journal_page_last                 97
_cell_length_a                     5.425
_cell_length_b                     5.478
_cell_length_c                     7.694
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       228.7
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P b n 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
  Nd3+   3.000
  Cr3+   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
  Nd1   Nd3+   4 c -0.01 0.035 0.25 1.  0 d
  Cr1   Cr3+   4 b 0.5 0. 0. 1.  0 d
  O1    O2-    4 c 0.06 0.475 0.25 1.  0 d
  O2    O2-    8 d 0.285 0.292 0.05 1.  0 d