Refinement of the structure of orthorhombic sulfur, α-S8

..cap alpha..-Sulfur, S/sub 8/, M/sub r/=256.51, orthorhombic, Fddd, a=10.4646(1), b=12.8660(1), c=24.4860(3) A, V=3296.7 A/sup 3/, Z=16, D/sub x/=2.067 g cm/sup -3/, Mo K..cap alpha.., lambda..cap alpha../sub 1/=0.70930 A, ..mu..=19.90 cm/sup -1/, F(000)=2048, T=298 K, R=0.019, wR=0.023 for 851 reflections with Igreater than or equal to3sigma(I), R=0.019 (wR=0.020) for 506 reflections with Igreater than or equal to3sigma(I) and (sintheta)/lambdagreater than or equal to0.481 A/sup -1/. Mean structural parameters are the same for both refinements: S-S=2.046(3) (uncorrected) and 2.055(2) A (corrected for libration), S-S-S=108.2(6) and S-S-S-S=98.5(19)/sup 0/.