Rerefinement of the crystal structure of tri-chlorido-sulfonium-(IV) hexa-chlorido-uranate(V), (SCl3)[UCl6]

IUCrdata. 2020 Jul 17;5(Pt 7):x200960. doi: 10.1107/S2414314620009608. eCollection 2020 Jul.

Abstract

Single crystals of tri-chlorido-sulfonium-(IV) hexa-chlorido-uranate(V) were obtained from the reaction of uranium(IV) chloride with an excess of disulfur dichloride and studied by single-crystal X-ray diffraction. In comparison with the structure model reported previously [Sawodny et al. (1983 ▸). Z. Anorg. Allg. Chem. 499, 81-88.], the lattice parameters and fractional atomic coordinates were determined to a much higher precision, leading overall to an improved structure model. The ionic compound contains trigonal-pyramidal (SCl3)+ cations and slightly distorted octa-hedral [UCl6]- anions. The structure was refined as an inversion twin with a twin ratio of 4.4:1.

Keywords: crystal structure; disulfur dichloride; ion pair; uranium.

Grants and funding

FK thanks the DFG for very generous funding.