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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/1/53/74/1537409.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_1537409
loop_
_publ_author_name
'Hoehle, T.'
'Mijlhoff, F.C.'
_publ_section_title
;
 The crystal structure of N O S O3 Cl
;
_journal_name_full
;
Recueil des Travaux Chimiques des Pays-Bas et de la Belgique
;
_journal_page_first              1153
_journal_page_last               1158
_journal_volume                  86
_journal_year                    1967
_chemical_formula_sum            'Cl N O4 S'
_chemical_name_systematic        'N O S O3 Cl'
_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                 109.8
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.998
_cell_length_b                   7.101
_cell_length_c                   7.556
_cell_volume                     454.247
_citation_journal_id_ASTM        RTCPA3
_cod_data_source_file            Hoehle_RTCPA3_1967_1643.cif
_cod_data_source_block           Cl1N1O4S1
_cod_original_formula_sum        'Cl1 N1 O4 S1'
_cod_database_code               1537409
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
N1 N+3 0.2396 0.6033 0.2316 1 0.0
S1 S+6 0.2149 1.0738 0.2035 1 0.0
O4 O-2 0.1293 0.6007 0.1773 1 0.0
O2 O-2 0.245 0.9627 0.0627 1 0.0
Cl1 Cl-1 0.4231 1.215 0.329 1 0.0
O3 O-2 0.1936 0.9688 0.3563 1 0.0
O1 O-2 0.1061 1.2247 0.1304 1 0.0
