David W I F, Ibberson R M, Cox S F J, Wood P T
Acta Crystallographica B62 (2006) 953-959
Order-disorder transition in monoclinic sulfur: a precise structural study by
high-resolution neutron powder diffraction
_database_code_amcsd 0009945
10.8125 10.7232 10.6883 90 95.7460 90 P2_1
atom x y z occ Uiso
S1 .2264 .52670 .0364 .0226
S2 .1438 .3547 .0130 .0226
S3 .2479 .2515 -.0996 .0226
S4 .3606 .1372 .0156 .0226
S5 .5328 .2190 .0399 .0226
S6 .5468 .3083 .2103 .0226
S7 .5114 .4937 .1760 .0226
S8 .3304 .5260 .2080 .0226
S9 -.2398 -.5318 -.0218 .0226
S10 -.1601 -.3591 .0047 .0226
S11 -.2700 -.2574 .1125 .0226
S12 -.3799 -.1442 -.0065 .0226
S13 -.5508 -.2279 -.0378 .0226
S14 -.5572 -.3173 -.2081 .0226
S15 -.5206 -.5025 -.1724 .0226
S16 -.3370 -.5324 -.1966 .0226
S17A .1768 -.1126 .0837 .941 .0267
S17B -.1768 .1126 -.0837 .059 .0267
S18A .0479 -.0748 .2069 .941 .0267
S18B -.0479 .0748 -.2069 .059 .0267
S19A .0042 .1109 .1896 .941 .0267
S19B -.0042 -.1109 -.1896 .059 .0267
S20A -.1601 .1243 .0766 .941 .0267
S20B .1601 -.1243 -.0766 .059 .0267
S21A -.1175 .1691 -.1006 .941 .0267
S21B .1175 -.1691 .1006 .059 .0267
S22A -.1242 .0074 -.2037 .941 .0267
S22B .1242 -.0074 .2037 .059 .0267
S23A .0550 -.0545 -.2068 .941 .0267
S23B -.0550 .0545 .2068 .059 .0267
S24A .0840 -.1918 -.0733 .941 .0267
S24B -.0840 .1918 .0733 .059 .0267
_database_code_amcsd 0009946
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