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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/01/2020176.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2020176
loop_
_publ_author_name
'Blake, A.J.'
'Henderson, S.G.D.'
'Ebsworth, E.A.V.'
'Welch, A.J.'
_publ_section_title
;
 Structure of silyl iodide at 116K
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1337
_journal_page_last               1339
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'H3 I Si'
_chemical_name_systematic        'Si H3 I'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.13
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.564
_cell_length_b                   8.3878
_cell_length_c                   10.5086
_cell_volume                     391.772
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Blake_ACSCEE_1988_1653.cif
_cod_data_source_block           H3I1Si1
_cod_original_cell_volume        391.7724
_cod_original_formula_sum        'H3 I1 Si1'
_cod_database_code               2020176
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
I1 I-1 0.13286 0.23311 0.05679 1 0.0
Si1 Si+4 0.4295 0.42832 0.20642 1 0.0
H2 H-1 0.568 0.516 0.138 1 0.0
H1 H-1 0.257 0.508 0.277 1 0.0
H3 H-1 0.662 0.352 0.301 1 0.0
