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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/1/53/99/1539937.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_1539937
loop_
_publ_author_name
'Weiss, J.'
_publ_section_title
;
 Die Kristall- und Molekelstruktur von Hexaschwefeldiimid, S6 (N H)2 und
 Heptaschwefelimid, S7 N H
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              190
_journal_page_last               197
_journal_volume                  305
_journal_year                    1960
_chemical_formula_sum            'H N S7'
_chemical_name_systematic        'S7 N H'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.61
_cell_length_b                   8.04
_cell_length_c                   13.03
_cell_volume                     797.233
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Weiss_ZAACAB_1960_881.cif
_cod_data_source_block           H1N1S7
_cod_original_cell_volume        797.2327
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'H1 N1 S7'
_cod_database_code               1539937
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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 0.214 0.272 0.25 1 0.0
S2 S 0.485 0.228 0.08 1 0.0
S1 S 0.247 0.161 0.142 1 0.0
S4 S 0.79 0.127 0.25 1 0.0
S3 S 0.66 0.045 0.136 1 0.0
