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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/4/12/39/4123979.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_4123979
loop_
_publ_author_name
'Bernstein, E.R.'
'Keiderling, T.A.'
'Lippard, S.J.'
'Mayerle, J.J.'
_publ_section_title
;
 Structure of uranium borohydride by single-crystal X-Ray diffraction
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2552
_journal_page_last               2553
_journal_volume                  94
_journal_year                    1972
_chemical_formula_sum            'B4 H16 U'
_chemical_name_systematic        'U (B H4)4'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 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        JACSAT
_cod_data_source_file            Bernstein_JACSAT_1972_1358.cif
_cod_data_source_block           H16B4U1
_cod_original_cell_volume        742.7653
_cod_original_formula_sum        'H16 B4 U1'
_cod_database_code               4123979
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+3/4
x+1/2,-y+1/2,-z+3/4
y,x,-z
-x+1/2,y+1/2,-z+1/4
-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
B1 B+3 -0.211 -0.349 -0.126 1 0.0
B2 B+3 0.212 -0.078 -0.106 1 0.0
U1 U+4 -0.06953 -0.06953 0 1 0.0
