Materials Data on UCoS3 by Materials Project

Abstract

UCoS3 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.64–2.88 Å. Co2+ is bonded to six S2- atoms to form corner-sharing CoS6 octahedra. The corner-sharing octahedra tilt angles range from 39–45°. There are a spread of Co–S bond distances ranging from 2.27–2.41 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U4+ and two equivalent Co2+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U4+ and two equivalent Co2+ atoms. In the third S2- site, S2- is bonded to two equivalent U4+ and two equivalent Co2+ atoms to form distorted corner-sharing SU2Co2 trigonal pyramids.