#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001359.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_1001359
_chemical_name_systematic          'Sodium borouranate'
_chemical_formula_structural       'Na B U O5'
_chemical_formula_sum              'B Na O5 U'
_publ_section_title
;
Synthese et structure du borouranate de sodium, Na B U O~5~.
;
loop_
_publ_author_name                  'Gasperin, M'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    44
_journal_year                      1988
_journal_page_first                415
_journal_page_last                 416
_cell_length_a                     10.712(3)
_cell_length_b                     5.780(1)
_cell_length_c                     6.862(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       424.9
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P c a m'
_symmetry_Int_Tables_number        57
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,1/2+z'
  '1/2-x,y,-z'
  '1/2+x,-y,1/2-z'
  '-x,-y,-z'
  'x,y,1/2-z'
  '1/2+x,-y,z'
  '1/2-x,y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  U6+    6.000
  Na1+   1.000
  B3+    3.000
  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 d 0.0674(1) 0.0979(1) 0.25 1.  0 d
  Na1   Na1+   4 c 0.25 0.5999(14) 0. 1.  0 d
  B1    B3+    4 d 0.8519(15) 0.7967(33) 0.25 1.  0 d
  O1    O2-    8 e 0.4123(7) 0.1288(16) 0.4173(13) 1.  0 d
  O2    O2-    4 d 0.6682(11) 0.1528(22) 0.25 1.  0 d
  O3    O2-    4 d 0.2426(9) 0.3185(19) 0.25 1.  0 d
  O4    O2-    4 d 0.4649(12) 0.6544(22) 0.25 1.  0 d
_refine_ls_R_factor_all            0.075
_cod_database_code 1001359