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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/1/1001143.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_1001143
_chemical_name_systematic          'Uranium(VI) titanium diniobium oxide'
_chemical_formula_structural       'U Ti Nb2 O10'
_chemical_formula_sum              'Nb2 O10 Ti U'
_publ_section_title
;
Synthese en monocristaux et structure cristalline de l'oxyde U Ti Nb~2~
O~10~
;
loop_
_publ_author_name
  'Chevalier, R'
  'Gasperin, M'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie C, Sciences Chimiques (1966-)
;
_journal_coden_ASTM                CHDCAQ
_journal_volume                    268
_journal_year                      1969
_journal_page_first                1426
_journal_page_last                 1428
_cell_length_a                     7.28
_cell_length_b                     12.62
_cell_length_c                     16.02
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1471.8
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'F d d d S'
_symmetry_Int_Tables_number        70
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,-z'
  '1/4-x,1/4-y,1/4-z'
  '1/4+x,1/4-y,1/4+z'
  'x,-y,-z'
  '-x,-y,z'
  '1/4-x,1/4+y,1/4+z'
  '1/4+x,1/4+y,1/4-z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '-x,1/2+y,1/2-z'
  '1/2-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  '1/4+x,3/4-y,3/4+z'
  '3/4+x,1/4-y,3/4+z'
  '3/4+x,3/4-y,1/4+z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,1/2-y,z'
  '1/4-x,3/4+y,3/4+z'
  '3/4-x,1/4+y,3/4+z'
  '3/4-x,3/4+y,1/4+z'
  '1/4+x,3/4+y,3/4-z'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  U6+    6.000
  Ti4+   4.000
  Nb5+   5.000
  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
  U1    U6+    8 a 0. 0. 0. 1.  0 d
  Ti1   Ti4+   8 b 0. 0. 0.5 1.  0 d
  Nb1   Nb5+  16 g 0. 0. 0.265 1.  0 d
  O1    O2-   32 h 0.303 0.101 -0.001 1.  0 d
  O2    O2-   16 g 0. 0. 0.378 1.  0 d
  O3    O2-   16 g 0. 0. 0.112 1.  0 d
  O4    O2-   16 f 0. 0.198 0. 1.  0 d
_refine_ls_R_factor_all            0.04