Materials Data on UCrSe3 by Materials Project
UCrSe3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.83–3.19 Å. Cr3+ is bonded to six Se2- atoms to form corner-sharing CrSe6 octahedra. The corner-sharing octahedra tilt angles range from 41–47°. There are a spread of Cr–Se bond distances ranging from 2.51–2.64 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent U3+ and two equivalent Cr3+ atoms to form distorted corner-sharing SeU2Cr2 trigonal pyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent U3+ and two equivalent Cr3+ atoms.