#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/61/1536100.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_1536100
loop_
_publ_author_name
'Feher, F.'
'Linke, K.H.'
_publ_section_title
;
 Die Kristallstruktur von Dicyantrisulfan S3 (C N)2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              151
_journal_page_last               158
_journal_volume                  327
_journal_year                    1964
_chemical_formula_sum            'C2 N2 S3'
_chemical_name_systematic        'S3 (C N)2'
_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                   10.14
_cell_length_b                   12.82
_cell_length_c                   4.35
_cell_volume                     565.477
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Feher_ZAACAB_1964_767.cif
_cod_data_source_block           C2N2S3
_cod_original_cell_volume        565.4774
_cod_database_code               1536100
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
S2 S+1 0.435 0.122 0.25 1 0.0
S1 S 0.523 0.25 0.479 1 0.0
N1 N-3 0.198 0.104 0.619 1 0.0
C1 C+2 0.297 0.109 0.465 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 3044787
