#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/13/1001392.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_1001392
loop_
_publ_author_name
'Gasperin, M'
_publ_section_title
;
Synthese et structure du tetraborouranate de nickel, Ni₇ B₄ U O₁₆
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              981
_journal_page_last               983
_journal_volume                  45
_journal_year                    1989
_chemical_formula_structural     'Ni7 B4 U O16'
_chemical_formula_sum            'B4 Ni7 O16 U'
_chemical_name_systematic        'Nickel borouranate * 00000100'
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      58
_symmetry_space_group_name_Hall  '-P 2n 2'
_symmetry_space_group_name_H-M   'P m n n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.861(2)
_cell_length_b                   20.200(6)
_cell_length_c                   4.501
_cell_volume                     532.9
_refine_ls_R_factor_all          0.054
_cod_database_code               1001392
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
1/2-x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
-x,y,z
1/2+x,1/2+y,1/2-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+ 2 a 0. 0. 0. 1. 0 d
Ni1 Ni2+ 2 b 0. 0.5 0. 1. 0 d
Ni2 Ni2+ 4 e 0. 0.2628(3) 0.4996(8) 1. 0 d
Ni3 Ni2+ 8 g 0.2488(7) 0.1289(2) 0.4980(6) 1. 0 d
B1 B3+ 4 e 0. 0.5874(18) 0.5528(66) 1. 0 d
B2 B3+ 4 e 0. 0.1921(17) 0.051(6) 1. 0 d
O1 O2- 8 g 0.1981(21) 0.2050(5) 0.2041(27) 1. 0 d
O2 O2- 4 e 0. 0.1765(8) 0.7455(45) 1. 0 d
O3 O2- 4 e 0. 0.3466(8) 0.2746(37) 1. 0 d
O4 O2- 8 g 0.2911(20) 0.0510(5) 0.7846(25) 1. 0 d
O5 O2- 4 e 0. 0.0704(7) 0.2856(35) 1. 0 d
O6 O2- 4 e 0. 0.5859(8) 0.2499(41) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
U6+ 6.000
Ni2+ 2.000
B3+ 3.000
O2- -2.000
