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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/36/4343639.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_4343639
loop_
_publ_author_name
'Bernstein, E.R.'
'Lippard, S.J.'
'Hamilton, W.C.'
'Mayerle, J.J.'
'Keiderling, T.A.'
'la Placa, S.J.'
_publ_section_title
;
 14-Coordinate Uranium(IV). The structure of uranium borohydride by
 single-crystal neutron diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3009
_journal_page_last               3016
_journal_volume                  11
_journal_year                    1972
_chemical_formula_sum            'B4 H16 U'
_chemical_name_systematic        'U (B H4)4'
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.49
_cell_length_b                   7.49
_cell_length_c                   13.24
_cell_volume                     742.765
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Bernstein_INOCAJ_1972_1846.cif
_cod_data_source_block           H16B4U1
_cod_original_cell_volume        742.7653
_cod_original_formula_sum        'H16 B4 U1'
_cod_database_code               4343639
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+3/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+1/4
x+1/2,-y+1/2,-z+1/4
y,x,-z
-x+1/2,y+1/2,-z+3/4
-y,-x,-z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
H6 H-1 0.2874 0.3437 0.1587 1 0.0
B2 B+3 -0.2038 -0.3445 -0.1257 1 0.0
H1 H-1 0.3751 0.349 0.3816 1 0.0
H3 H-1 0.1479 0.3686 0.4586 1 0.0
B1 B+3 0.2108 -0.0798 -0.1039 1 0.0
U1 U+4 -0.0711 -0.0711 0 1 0.0
H2 H-1 0.146 0.4469 0.3149 1 0.0
H7 H-1 0.4986 0.2694 0.2362 1 0.0
H8 H-1 0.4214 0.1468 0.0981 1 0.0
H5 H-1 0.0101 0.0894 0.1464 1 0.0
H4 H-1 0.1764 0.1782 0.3432 1 0.0
