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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008181.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_1008181
_chemical_name_systematic          'TERBIUM COPPER TITANIUM OXIDE (0.7/3/4/12)'
_chemical_formula_structural       '(TB0.71 CU3) TI4 O12'
_chemical_formula_sum              'Cu3 O12 Tb.71 Ti4'
_publ_section_title
;
Synthese et caracterisation d'une serie de titanates Perowskites
isotypes de (Ca Cu~3~) (Mn~4~) O~12~
;
loop_
_publ_author_name
  'Bochu, B'
  'Deschizeaux, M N'
  'Joubert, J C'
  'Collomb, A'
  'Chenavas, J'
  'Marezio, M'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    29
_journal_year                      1979
_journal_page_first                291
_journal_page_last                 298
_cell_length_a                     7.383(1)
_cell_length_b                     7.383(1)
_cell_length_c                     7.383(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       402.4
_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
  Tb3+   3.000
  Cu2+   2.000
  Ti4+   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
  Tb1   Tb3+   2 a 0. 0. 0. 0.71(3)  0 d
  Cu1   Cu2+   6 b 0. 0.5 0.5 1.  0 d
  Ti1   Ti4+   8 c 0.25 0.25 0.25 1.  0 d
  O1    O2-   24 g 0.3030(5) 0.1797(5) 0. 1.  0 d
_refine_ls_R_factor_all            0.018