Materials Data on U2CoS5 by Materials Project

Abstract

U2CoS5 crystallizes in the monoclinic C2/c 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 2.62–3.01 Å. Co2+ is bonded to six S2- atoms to form corner-sharing CoS6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Co–S bond distances ranging from 2.38–2.44 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent U4+ atoms to form distorted edge-sharing SU4 trigonal pyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent U4+ and one Co2+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U4+ and two equivalent Co2+ atoms.