Materials Data on PrUS2 by Materials Project
UPrS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U is bonded to six equivalent S atoms to form US6 octahedra that share corners with six equivalent PrS6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent PrS6 octahedra. The corner-sharing octahedral tilt angles are 4°. All U–S bond lengths are 2.76 Å. Pr is bonded to six equivalent S atoms to form PrS6 octahedra that share corners with six equivalent US6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent PrS6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Pr–S bond lengths are 2.89 Å. S is bonded to three equivalent U and three equivalent Pr atoms to form a mixture of edge and corner-sharing SPr3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.