#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/91/1539122.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_1539122
loop_
_publ_author_name
'Steidel, J.'
'Steudel, R.'
'Kutoglu, A.'
_publ_section_title
;
 Roentgenstrukturanalysen von Cyclododecaschwefel (S12) und
 Cyclododecaschwefel-1-Kohlendisulfid ((S12) * (C S2))
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              171
_journal_page_last               178
_journal_volume                  476
_journal_year                    1981
_chemical_formula_sum            S12
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.725
_cell_length_b                   9.104
_cell_length_c                   14.532
_cell_volume                     625.114
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Steidel_ZAACAB_1981_1350.cif
_cod_data_source_block           S12
_cod_original_cell_volume        625.1143
_cod_database_code               1539122
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z-1/2
x-1/2,-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
S3 S 0.01187 0.31604 0.11347 1 0.0
S2 S 0.24016 0.12957 0.14014 1 0.0
S4 S -0.23207 0.27172 0 1 0.0
S1 S 0 0 0.22589 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139047420
