Materials Data on PuUC3 by Materials Project

Abstract

PuUC3 is Plutonium carbide-derived structured and crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Pu6+ is bonded in a 6-coordinate geometry to nine C4- atoms. There are a spread of Pu–C bond distances ranging from 2.45–2.78 Å. U6+ is bonded in a 6-coordinate geometry to six C4- atoms. There are three shorter (2.45 Å) and three longer (2.54 Å) U–C bond lengths. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to two equivalent Pu6+, two equivalent U6+, and one C4- atom to form a mixture of distorted corner and edge-sharing CPu2U2C trigonal bipyramids. The C–C bond length is 1.41 Å. In the second C4- site, C4- is bonded to four equivalent Pu6+, two equivalent U6+, and one C4- atom to form distorted CPu4U2C trigonal bipyramids that share corners with twenty CPu2U2C trigonal bipyramids, edges with five CPu4U2C trigonal bipyramids, and faces with four equivalent CPu4U2C trigonal bipyramids.