#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/43/4344302.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_4344302
loop_
_publ_author_name
'Huffman, J.C.'
'Schaeffer, R.'
'Moody, D.C.'
_publ_section_title
;
 Studies of Borane. 47. Synthesis and X-ray Crystallographic Study of
 Tetradecaborane(20)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              741
_journal_page_last               745
_journal_volume                  20
_journal_year                    1981
_chemical_formula_sum            'B14 H20'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.119
_cell_length_b                   9.976
_cell_length_c                   8.963
_cell_volume                     1173.034
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Huffman_INOCAJ_1981_1418.cif
_cod_data_source_block           H20B14
_cod_original_formula_sum        'H20 B14'
_cod_database_code               4344302
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+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
H4 H 0.3804 0.0024 -0.3091 1 0.0
H11 H 0.2678 0.2706 -0.3089 1 0.0
H15 H 0.2465 0.2079 -0.1064 1 0.0
H1 H 0.3872 0.4945 0.3052 1 0.0
B8 B 0.4656 0.0813 -0.0598 1 0.0
H9 H 0.3393 -0.1123 -0.0012 1 0.0
H20 H 0.2573 0.3211 0.0749 1 0.0
H19 H 0.2884 0.2054 0.2385 1 0.0
H10 H 0.1753 0.0377 -0.1583 1 0.0
H14 H 0.189 0.3507 0.2658 1 0.0
H12 H 0.4038 0.4441 -0.1946 1 0.0
H8 H 0.5355 0.0119 -0.0555 1 0.0
B4 B 0.3698 0.0633 -0.2055 1 0.0
H5 H 0.3702 0.2153 0.4201 1 0.0
H7 H 0.5806 0.2844 -0.0413 1 0.0
B2 B 0.4448 0.4092 0.0596 1 0.0
H13 H 0.2626 0.5113 0.026 1 0.0
H18 H 0.4296 0.1849 0.2227 1 0.0
H2 H 0.4888 0.4969 0.0502 1 0.0
B9 B 0.3468 -0.0074 -0.0321 1 0.0
B3 B 0.4418 0.2118 -0.1852 1 0.0
B7 B 0.4999 0.2648 -0.0193 1 0.0
B10 B 0.2506 0.0819 -0.1263 1 0.0
B6 B 0.4777 0.2882 0.1923 1 0.0
H17 H 0.4093 0.0599 0.0506 1 0.0
B12 B 0.3919 0.3628 -0.1127 1 0.0
H6 H 0.5508 0.2843 0.2519 1 0.0
B14 B 0.2627 0.3302 0.2141 1 0.0
B11 B 0.3091 0.2284 -0.2076 1 0.0
B13 B 0.3109 0.4216 0.0543 1 0.0
H16 H 0.2648 0.0546 0.0141 1 0.0
B5 B 0.3663 0.252 0.3026 1 0.0
B1 B 0.379 0.4116 0.2311 1 0.0
H3 H 0.4866 0.2244 -0.2831 1 0.0
