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#$Date: 2025-08-18 17:33:07 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301779 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/00/1540065.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_1540065
loop_
_publ_author_name
'Hecht, H.J.'
'Reinhardt, R.'
'Steudel, R.'
'Bradaczek, H.'
_publ_section_title
;
 Neubestimmung der Kristall- und Molekuelstruktur von Heptaschwefelimid,
 S7 N H
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              43
_journal_page_last               48
_journal_volume                  426
_journal_year                    1976
_chemical_formula_sum            'H N S7'
_chemical_name_systematic        'S7 (N H)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.823
_cell_length_b                   13.091
_cell_length_c                   7.607
_cell_volume                     779.040
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hecht_ZAACAB_1976_323.cif
_cod_data_source_block           H1N1S7
_cod_original_cell_volume        779.0396
_cod_original_formula_sum        'H1 N1 S7'
_cod_database_code               1540065
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
N1 N 0.2594 0.25 0.2125 1 0.0
H1 H 0.3759 0.25 0.2041 1 0.0
S1 S 0.121 0.25 0.7946 1 0.0
S2 S 0.1638 0.1371 0.2454 1 0.0
S4 S 0.0343 0.1241 0.6621 1 0.0
S3 S 0.2249 0.0819 0.4895 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 3446506
