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 S18 ; _database_code_amcsd 0015780 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'S' _cell_length_a 21.152 _cell_length_b 11.441 _cell_length_c 7.581 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1834.602 _exptl_crystal_density_diffrn 2.090 _symmetry_space_group_name_H-M 'P 21 21 21' 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_ _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 0.02901 0.03289 0.04559 0.00000 0.00252 0.00633 S2 0.02901 0.04052 0.03293 -0.00380 0.00122 -0.00378 S3 0.03151 0.04682 0.04813 -0.01005 0.00122 0.00123 S4 0.03785 0.04304 0.04685 0.00883 -0.00755 -0.00505 S5 0.04171 0.03667 0.04559 0.00123 0.00252 0.00123 S6 0.03785 0.04178 0.04431 0.00760 -0.00755 -0.00378 S7 0.03151 0.03667 0.03800 -0.00380 0.00504 0.00123 S8 0.03287 0.03037 0.03671 0.00123 0.00252 -0.00250 S9 0.03037 0.05066 0.03040 -0.00245 -0.00252 0.00505 S10 0.03287 0.03163 0.04813 0.00245 0.00252 0.00756 S11 0.03672 0.04682 0.03165 -0.00123 0.00374 -0.00505 S12 0.03151 0.04430 0.03800 -0.00760 0.00755 0.00123 S13 0.03536 0.04304 0.04178 0.01140 0.00000 -0.00250 S14 0.04035 0.03415 0.03925 -0.00123 0.00755 0.00123 S15 0.03921 0.03667 0.03293 0.00380 -0.01007 -0.00123 S16 0.02765 0.03289 0.03546 0.00123 0.00755 0.00378 S17 0.02901 0.02911 0.03800 0.00000 0.00634 -0.00378 S18 0.03037 0.05318 0.03040 -0.00380 -0.00504 0.00505