#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/23/9012361.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_9012361
loop_
_publ_author_name
'Steidel, J.'
'Pickardt, J.'
'Steudel, R.'
_publ_section_title
;Redetermination of the crystal and molecular structure of cyclohexasulfur, S6
;
_journal_name_full               'Zeitschrift fur Naturforschung B'
_journal_page_first              1554
_journal_page_last               1555
_journal_volume                  33
_journal_year                    1978
_chemical_compound_source        Synthetic
_chemical_formula_sum            S6
_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                   10.766
_cell_length_b                   10.766
_cell_length_c                   4.225
_cell_formula_units_Z            3
_cell_volume                     424.098
_database_code_amcsd             0015833
_diffrn_ambient_temperature      183
_exptl_crystal_density_diffrn    2.260
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               9012361
loop_
_space_group_symop_operation_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_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
S 0.01060 0.01150 0.03130 0.00490 0.00220 0.00200
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S 0.19050 0.14750 0.39400
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 123119
2 AMCSD 0015833
