#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008281.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_1008281
_chemical_name_systematic          'Uranium(IV) tetraniobium oxide'
_chemical_formula_structural       '(U Nb4 O12).5'
_chemical_formula_sum            'Nb2 O6 U0.5'
_[local]_cod_chemical_formula_sum_orig 'Nb2 O6 U.5'
_publ_section_title
;
The structure of the a-cation deficient Perovskite U Nb~4~ O~12~
;
loop_
_publ_author_name
  'Labeau, M'
  'Grey, I E'
  'Coubert, J C'
  'Chenevas, J'
  'Collomb, A'
  'Guitel, J C'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    41
_journal_year                      1985
_journal_page_first                33
_journal_page_last                 41
_cell_length_a                     3.856
_cell_length_b                     3.856(1)
_cell_length_c                     7.796(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       115.9
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P 4/m m m'
_symmetry_Int_Tables_number        123
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '-y,x,z'
  'y,-x,z'
  'y,x,z'
  '-y,-x,z'
  '-x,-y,-z'
  'x,y,-z'
  'x,-y,-z'
  '-x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,-z'
  'y,x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  U4+    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    U4+    1 a 0. 0. 0. 0.5  0 d
  Nb1   Nb5+   2 h 0.5 0.5 0.2611(6) 1.  0 d
  O1    O2-    1 c 0.5 0.5 0. 1.  0 d
  O2    O2-    1 d 0.5 0.5 0.5 1.  0 d
  O3    O2-    4 i 0. 0.5 0.2285(31) 1.  0 d
_refine_ls_R_factor_all            0.063