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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/4/12/43/4124316.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_4124316
loop_
_publ_author_name
'Banks, R.H.'
'Templeton, D.H.'
'Edelstein, N.M.'
'Spencer, B.'
'Zalkin, A.'
_publ_section_title
;
 Volatility and molecular structure of neptunium(IV) borohydride
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              620
_journal_page_last               623
_journal_volume                  102
_journal_year                    1980
_chemical_formula_sum            'B4 H16 Np'
_chemical_name_systematic        'Np (B H4)4'
_space_group_IT_number           137
_symmetry_space_group_name_Hall  'P 4n 2n -1n'
_symmetry_space_group_name_H-M   'P 42/n m c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.559
_cell_length_b                   8.559
_cell_length_c                   6.017
_cell_volume                     440.784
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Banks_JACSAT_1980_510.cif
_cod_data_source_block           H16B4Np1
_cod_original_cell_volume        440.7843
_cod_original_sg_symbol_Hall     '-P 4ac 2a (x-1/4,y+1/4,z+1/4)'
_cod_original_formula_sum        'H16 B4 Np1'
_cod_database_code               4124316
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
-x+1/2,-y+1/2,-z+1/2
y,-x,-z
x+1/2,y+1/2,-z+1/2
-y,x,-z
-x,y,z
-y+1/2,-x+1/2,z+1/2
x,-y,z
y+1/2,x+1/2,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
H2 H-1 0 0.26 0.05 1 0.0
Np1 Np+4 0 0 0 1 0.0
B1 B+3 0 0.235 0.233 1 0.0
H3 H-1 0.1 0.15 0.24 1 0.0
H1 H-1 0 0.33 0.33 1 0.0
