#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/69/2106938.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_2106938
loop_
_publ_author_name
'Raynerd, G.'
'Venables, J.A.'
'Tatlock, G.J.'
_publ_section_title
;
 An electron diffraction study of the structure of sulphur hexafluoride
 below 94 K
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1896
_journal_page_last               1900
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'F6 S'
_chemical_name_systematic        'S F6'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.01
_cell_length_b                   8.01
_cell_length_c                   4.83
_cell_volume                     268.375
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Raynerd_ACBCAR_1982_504.cif
_cod_data_source_block           F6S1
_cod_original_cell_volume        268.3755
_cod_original_formula_sum        'F6 S1'
_cod_database_code               2106938
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,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
S2 S+6 0.3333 0.6667 0.46 1 0.0
F2 F-1 0.42 -0.42 -0.33 1 0.0
S1 S+6 0 0 0 1 0.0
F3 F-1 -0.245 0.245 -0.25 1 0.0
F1 F-1 0.091 -0.091 -0.198 1 0.0
