#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/13/1001345.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
loop_
_publ_author_name
'Gasperin, M'
_publ_section_title              'Structure du borate d'uranium U B₂ O₆'
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              2031
_journal_page_last               2033
_journal_volume                  43
_journal_year                    1987
_chemical_formula_structural     'U B2 O6'
_chemical_formula_sum            'B2 O6 U'
_chemical_name_systematic        'Uranium borate *'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 122.18(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.504(3)
_cell_length_b                   4.183(1)
_cell_length_c                   10.453(3)
_cell_volume                     462.7
_exptl_crystal_density_meas      5.1
_refine_ls_R_factor_all          0.066
_cod_database_code               1001345
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
U6+ 6.000
B3+ 3.000
O2- -2.000
