#------------------------------------------------------------------------------
#$Date: 2018-09-19 14:50:36 +0200 (Wed 19 de Sep de 2018) $
#$Revision: 211061 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/68/2106858.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_2106858
loop_
_publ_author_name
'Clegg, W.'
'Glemser, O.'
'Harms, K.'
'Hartmann, G.'
'Mews, R.'
'Noltemeyer, M.'
'Sheldrick, G. M.'
_publ_section_title
;
 Crystal Structures of Thionitrosyl Hexafluoroantimonate(V) and
 Thionitrosyl Undecafluorodiantimonate(V) at 293 K and of Thionitrosyl
 Undecafluorodiantimonate(V) at 121.5 K: The Effect of Thermal Motion on
 the Apparent NS Bond Length
;
_journal_coden_ASTM              ACBCAR
_journal_issue                   3
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Crystallography and
 Crystal Chemistry
;
_journal_page_first              548
_journal_page_last               552
_journal_paper_doi               10.1107/s0567740881003555
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'F6 N S Sb'
_chemical_name_systematic        'N S Sb F6'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.999
_cell_length_b                   8.363
_cell_length_c                   10.468
_cell_volume                     1225.527
_cod_data_source_file            Clegg_ACBCAR_1981_1276.cif
_cod_data_source_block           F6N1S1Sb1
_cod_original_formula_sum        'F6 N1 S1 Sb1'
_cod_database_code               2106858
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
-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
F2 F-1 0.4433 0.1135 0.6403 1 0.0
F1 F-1 0.4927 0.2749 0.4358 1 0.0
N1 N+3 0.3769 0.8398 0.8031 1 0.0
F6 F-1 0.3876 0.4085 0.6156 1 0.0
Sb1 Sb+5 0.3762 0.2273 0.5143 1 0.0
F3 F-1 0.2604 0.1772 0.5932 1 0.0
S1 S-2 0.3797 0.6889 0.7546 1 0.0
F4 F-1 0.3095 0.3375 0.3903 1 0.0
F5 F-1 0.3667 0.0406 0.4177 1 0.0
