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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/4/03/13/4031379.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_4031379
loop_
_publ_author_name
'Barrow, M.J.'
'Ebsworth, E.A.V.'
_publ_section_title
;
 Crystal and molecular structure of Trisilylamine at 115 K
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              563
_journal_page_last               565
_journal_volume                  1984
_journal_year                    1984
_chemical_formula_sum            'H9 N Si3'
_chemical_name_systematic        'N (Si H3)3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.5
_cell_angle_beta                 119.1
_cell_angle_gamma                98.6
_cell_formula_units_Z            2
_cell_length_a                   6.84
_cell_length_b                   8.17
_cell_length_c                   6.87
_cell_volume                     325.308
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Barrow_JCDTBI_1984_951.cif
_cod_data_source_block           H9N1Si3
_cod_original_cell_volume        325.3075
_cod_original_formula_sum        'H9 N1 Si3'
_cod_database_code               4031379
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
H8 H-1 0.741 0.442 0.905 1 0.0
H1 H-1 0.699 0.383 0.312 1 0.0
H9 H-1 0.391 0.256 0.798 1 0.0
Si2 Si+4 0.2204 0.2052 0.3042 1 0.0
N1 N-3 0.5065 0.2516 0.5142 1 0.0
Si1 Si+4 0.7172 0.2674 0.4423 1 0.0
H2 H-1 0.936 0.318 0.635 1 0.0
Si3 Si+4 0.5849 0.285 0.7981 1 0.0
H3 H-1 0.717 0.124 0.323 1 0.0
H6 H-1 0.135 0.323 0.303 1 0.0
H4 H-1 0.218 0.181 0.096 1 0.0
H7 H-1 0.667 0.143 0.876 1 0.0
H5 H-1 0.11 0.067 0.321 1 0.0
