#------------------------------------------------------------------------------
#$Date: 2009-05-13 20:45:18 +0200 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: svn://www.crystallography.net/cod/cif/1/1001345.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_1001345
_chemical_name_systematic          'Uranium borate *'
_chemical_formula_structural       'U B2 O6'
_chemical_formula_sum              'B2 O6 U'
_publ_section_title                'Structure du borate d'uranium U B~2~ O~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                2031
_journal_page_last                 2033
_cell_length_a                     12.504(3)
_cell_length_b                     4.183(1)
_cell_length_c                     10.453(3)
_cell_angle_alpha                  90
_cell_angle_beta                   122.18(3)
_cell_angle_gamma                  90
_cell_volume                       462.7
_cell_formula_units_Z              4
_exptl_crystal_density_meas        5.1
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  U6+    6.000
  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 e 0. 0.2407(1) 0.25 1.  0 d
  B1    B3+    8 f 0.3013(6) 0.1484(15) 0.2509(10) 1.  0 d
  O1    O2-    8 f 0.1026(7) 0.2433(8) 0.7562(11) 1.  0 d
  O2    O2-    8 f 0.2983(4) 0.1830(11) 0.7614(7) 1.  0 d
  O3    O2-    8 f 0.0893(9) 0.2439(12) 0.4487(11) 1.  0 d
_refine_ls_R_factor_all            0.066