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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/23/9012334.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_9012334
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 S20
;
_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            S20
_chemical_name_mineral           Sulfur
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.580
_cell_length_b                   13.181
_cell_length_c                   8.600
_cell_formula_units_Z            4
_cell_volume                     2106.166
_database_code_amcsd             0015781
_exptl_crystal_density_diffrn    2.023
_cod_database_code               9012334
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S1 0.05460 0.52420 0.71770
S2 0.09730 0.40020 0.82110
S3 0.09120 0.28900 0.65630
S4 0.18040 0.30700 0.51890
S5 0.26300 0.24050 0.63380
S6 0.25990 0.08880 0.58340
S7 0.19460 0.02170 0.74220
S8 0.09140 0.02990 0.65600
S9 0.07160 0.89370 0.55110
S10 0.05430 0.79210 0.72570
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30654014
2 AMCSD 0015781
