Sulphur
Rettig S J, Trotter J
Acta Crystallographica C43 (1987) 2260-2262
Refinement of the structure of orthorhombic sulfur, alpha-S8
Locality: synthetic
Sample: at T = 298 K
Note: alpha phase
Note: coordinate positions of atoms correspond to high-angle refinements
_database_code_amcsd 0010057
10.4646 12.8660 24.4860 90 90 90 *Fddd
.125 .125 .125
atom      x       y       z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
S1   .85585 -.04732 -.04860 .044  .0598  .0390  .0326  .0031  .0048  .0079
S2   .70723 -.02031  .00406 .044  .0439  .0478  .0411  .0096 -.0051  .0015
S3   .78402  .03022  .07618 .045  .0572  .0366  .0424  .0011  .0061 -.0091
S4   .78595 -.09239  .12947 .043  .0332  .0618  .0331 -.0021  .0058  .0028