#------------------------------------------------------------------------------
#$Date: 2009-05-13 20:45:18 +0200 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: svn://www.crystallography.net/cod/cif/1/1001338.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_1001338
_chemical_name_systematic          'Caesium niobium uranium hexaoxide'
_chemical_formula_structural       'Cs Nb U O6'
_chemical_formula_sum              'Cs Nb O6 U'
_publ_section_title
;
Synthese et structure du niobouranate de cesium:CsNbUo~6~
;
loop_
_publ_author_name                  'Gasperin, M'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    43
_journal_year                      1987
_journal_page_first                404
_journal_page_last                 406
_cell_length_a                     7.430(1)
_cell_length_b                     8.700(1)
_cell_length_c                     10.668(2)
_cell_angle_alpha                  90
_cell_angle_beta                   105.08(1)
_cell_angle_gamma                  90
_cell_volume                       665.8
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  U6+    6.000
  Nb5+   5.000
  Cs1+   1.000
  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+    4 e 0.01284(6) 0.98185(4) 0.32143(3) 1.  0 d
  Nb1   Nb5+   4 e 0.1135(1) 0.15138(9) 0.05572(8) 1.  0 d
  Cs1   Cs1+   4 e 0.5409(1) 0.2289(1) 0.86097(9) 1.  0 d
  O1    O2-    4 e 0.7722(12) 0.0231(9) 0.2677(9) 1.  0 d
  O2    O2-    4 e 0.7415(13) 0.059(1) 0.6279(8) 1.  0 d
  O3    O2-    4 e 0.9654(13) 0.0574(8) 0.8888(7) 1.  0 d
  O4    O2-    4 e 0.0314(14) 0.1464(8) 0.4937(7) 1.  0 d
  O5    O2-    4 e 0.3475(15) 0.1341(11) 0.0709(9) 1.  0 d
  O6    O2-    4 e 0.0751(13) 0.2132(8) 0.2216(7) 1.  0 d
_refine_ls_R_factor_all            0.052