#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/23/9012333.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9012333
loop_
_publ_author_name
'Schmidt, V. M.'
'Wilhelm, E.'
'Debaerdemaeker, T.'
'Hellner, E.'
'Kutoglu, A.'
_publ_section_title
;
 Darstellung und kristallstruktur von cyclooktadekaschwefel, S18, und
 cycloikosaschwefel, S20
 Note: structure for S18
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              153
_journal_page_last               162
_journal_paper_doi               10.1002/zaac.19744050204
_journal_volume                  405
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            S18
_chemical_name_mineral           Sulfur
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   21.152
_cell_length_b                   11.441
_cell_length_c                   7.581
_cell_formula_units_Z            4
_cell_volume                     1834.602
_database_code_amcsd             0015780
_exptl_crystal_density_diffrn    2.090
_cod_database_code               9012333
loop_
_space_group_symop_operation_xyz
x,y,z
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S1 0.51410 0.32510 0.71590
S2 0.59330 0.25920 0.59530
S3 0.66840 0.34340 0.71080
S4 0.69440 0.24730 0.92900
S5 0.64080 0.30670 0.13760
S6 0.68680 0.44950 0.24250
S7 0.66310 0.58810 0.08350
S8 0.57990 0.65730 0.17600
S9 0.50970 0.55190 0.07680
S10 0.48670 0.43990 0.27940
S11 0.40550 0.50600 0.38920
S12 0.33210 0.42030 0.26730
S13 0.30550 0.51640 0.04980
S14 0.36030 0.45910 0.84230
S15 0.31630 0.31080 0.74640
S16 0.34130 0.17840 0.91520
S17 0.42360 0.10650 0.82450
S18 0.49450 0.21210 0.91920
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30654013
2 AMCSD 0015780
