Order-disorder transition in monoclinic sulfur: A precise structural study by high-resolution neutron powder diffraction

Abstract

High-resolution neutron powder diffraction has been used in order to characterize the order-disorder transition in monoclinic cyclo-octasulphur. Rapid data collection and the novel use of geometrically constrained refinements has enabled a direct and precise determination of the order parameter, based on molecular site occupancies, to be made. The transition is critical and continuous; with a transition temperature, Tc = 198.4 (3) K, and a critical exponent, β= 0.28 (3), which is indicative of three-dimensional ordering. Difficulties encountered as a consequence of the low thermal conductivity of the sample are discussed. © 2006 International Union of Crystallography Printed in Great Britain - all rights reserved.