Materials Data on UWC2 by Materials Project

Abstract

UWC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U6+ is bonded in a 6-coordinate geometry to six C4- atoms. There are a spread of U–C bond distances ranging from 2.32–2.68 Å. W2+ is bonded in a 3-coordinate geometry to five C4- atoms. There are a spread of W–C bond distances ranging from 2.08–2.39 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent U6+, two equivalent W2+, and one C4- atom to form a mixture of distorted edge and corner-sharing CU3W2C octahedra. The corner-sharing octahedra tilt angles range from 16–22°. The C–C bond length is 1.51 Å. In the second C4- site, C4- is bonded in a 5-coordinate geometry to three equivalent U6+, three equivalent W2+, and one C4- atom.