data_global
_chemical_name_mineral 'Sulfur'
loop_
_publ_author_name
'Schmidt V M'
'Wilhelm E'
'Debaerdemaeker T'
'Hellner E'
'Kutoglu A'
_journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_volume 405 
_journal_year 1974
_journal_page_first 153
_journal_page_last 162
_publ_section_title
;
 Darstellung und kristallstruktur von cyclooktadekaschwefel, S18, und
 cycloikosaschwefel, S20
 Note: structure for S20
;
_database_code_amcsd 0015781
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'S5'
_cell_length_a 18.580
_cell_length_b 13.181
_cell_length_c 8.600
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2106.166
_exptl_crystal_density_diffrn      2.023
_symmetry_space_group_name_H-M 'P b c n'
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_
_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
S1 0.07468 0.05193 0.16336 -0.01266 0.02785 0.00632
S2 0.05177 0.09242 0.10004 -0.00124 -0.00631 -0.01137
S3 0.03533 0.05316 0.15070 -0.00496 0.00631 -0.01263
S4 0.04932 0.09119 0.08738 -0.00496 0.00251 -0.00505
S5 0.03026 0.07851 0.10637 -0.01898 -0.01012 -0.00758
S6 0.02903 0.08731 0.09626 -0.00881 0.00753 -0.01011
S7 0.03918 0.07596 0.07850 -0.00124 -0.01012 0.00505
S8 0.02518 0.04559 0.11776 -0.00124 0.00372 -0.00126
S9 0.03410 0.06584 0.07344 0.00372 -0.00121 -0.00379
S10 0.03410 0.04683 0.10004 0.01005 0.00372 0.00632