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#$Date: 2023-11-11 19:50:47 +0200 (Sat, 11 Nov 2023) $
#$Revision: 287550 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/23/9012311.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_9012311
loop_
_publ_author_name
'Donohue, J.'
'Caron, A.'
'Goldish, E.'
_publ_section_title
;
 The crystal and molecular structure of S6 (sulfur-6)
 Locality: synthetic
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3748
_journal_page_last               3751
_journal_paper_doi               10.1021/ja01479a003
_journal_volume                  83
_journal_year                    1961
_chemical_formula_sum            S6
_chemical_name_common            Sulfur
_chemical_name_mineral           Sulfur
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.818
_cell_length_b                   10.818
_cell_length_c                   4.280
_cell_volume                     433.779
_exptl_crystal_density_diffrn    2.210
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               9012311
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
S 0.14540 0.18820 0.10550 -0.01127
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 123119
_database_code_amcsd 0014103