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#$Date: 2014-07-11 15:35:18 +0100 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/86/1008633.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_1008633
_chemical_name_systematic          'Neodymium copper ruthenium oxide (1/3/4/12)'
_chemical_formula_structural       'Nd Cu3 Ru4 O12'
_chemical_formula_sum              'Cu3 Nd O12 Ru4'
_publ_section_title
;
Conductivie electrique et caracterisation cristallographique des
composes type perovskite Nd Cu~3~ Ru~x~ Ti~4-x~ O~12~ (1<x<4) et
Nd~(2+x)/3~ Cu~3~ Ru~x~ Ti~4-x~ O~12~ (x<1)
;
loop_
_publ_author_name
  'Muller, J'
  'Haouzi, A'
  'Laviron, C'
  'Labeau, M'
  'Joubert, J C'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    21
_journal_year                      1986
_journal_page_first                1131
_journal_page_last                 1136
_cell_length_a                     7.455
_cell_length_b                     7.455
_cell_length_c                     7.455
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       414.3
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I m -3'
_symmetry_Int_Tables_number        204
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  '-x,y,-z'
  '-x,-y,z'
  'y,z,x'
  '-y,-z,x'
  'y,-z,-x'
  '-y,z,-x'
  'z,x,y'
  '-z,x,-y'
  '-z,-x,y'
  'z,-x,-y'
  '-x,-y,-z'
  '-x,y,z'
  'x,-y,z'
  'x,y,-z'
  '-y,-z,-x'
  'y,z,-x'
  '-y,z,x'
  'y,-z,x'
  '-z,-x,-y'
  'z,-x,y'
  'z,x,-y'
  '-z,x,y'
  '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+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+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-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-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-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'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Nd3+   3.000
  Cu2+   1.670
  Ru4+   4.000
  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+   2 a 0. 0. 0. 1.  0 d
  Cu1   Cu2+   6 b 0. 0.5 0.5 1.  0 d
  Ru1   Ru4+   8 c 0.25 0.25 0.25 1.  0 d
  O1    O2-   24 g 0.1721(4) 0.3050(4) 0. 1.  0 d
_refine_ls_R_factor_all            0.025
_cod_database_code 1008633
_journal_paper_doi 10.1016/0025-5408(86)90230-8