#------------------------------------------------------------------------------
#$Date: 2025-08-19 11:35:14 +0200 (Tue 19 de Aug de 2025) $
#$Revision: 301801 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/03/2020365.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_2020365
loop_
_publ_author_name
'Martan, H.'
'Weiss, J.'
_publ_section_title
;
 Dithalliumtrischwefeltrinitrid-tetraschwefelpentanitrid, Tl2 S7 N8
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              959
_journal_page_last               960
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'N8 S7 Tl2'
_chemical_name_systematic        '(Tl2 S3 N3) (S4 N5)'
_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                   11.38
_cell_length_b                   9.281
_cell_length_c                   11.714
_cell_volume                     1237.207
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Martan_ACSCEE_1983_338.cif
_cod_data_source_block           N8S7Tl2
_cod_database_code               2020365
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
S5 S 0.5483 0.25 0.065 1 0.0
S4 S 0.3434 0.25 0.1965 1 0.0
N1 N 0.8125 0.25 0.9543 1 0.0
S6 S 0.5397 0.3932 0.2703 1 0.0
N6 N 0.3982 0.388 0.271 1 0.0
Tl1 Tl 0.7788 0.5401 0.0572 1 0.0
N4 N 0.4048 0.25 0.0695 1 0.0
N5 N 0.5955 0.3885 0.1439 1 0.0
S2 S 0.9548 0.25 0.9621 1 0.0
S1 S 0.9575 0.25 0.7175 1 0.0
N2 N 0.0219 0.25 0.8397 1 0.0
S3 S 0.737 0.25 0.839 1 0.0
N3 N 0.8144 0.25 0.7213 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139062212
