Materials Data on U2Re2C3 by Materials Project

Abstract

U2Re2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. U3+ is bonded in a distorted pentagonal planar geometry to five C4- atoms. There are a spread of U–C bond distances ranging from 2.42–2.47 Å. Re3+ is bonded to four C4- atoms to form a mixture of edge and corner-sharing ReC4 trigonal pyramids. There are a spread of Re–C bond distances ranging from 2.09–2.18 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent U3+ and two equivalent Re3+ atoms to form CU4Re2 octahedra that share corners with twelve equivalent CU3Re3 octahedra, edges with two equivalent CU4Re2 octahedra, and faces with two equivalent CU3Re3 octahedra. The corner-sharing octahedra tilt angles range from 39–60°. In the second C4- site, C4- is bonded to three equivalent U3+ and three equivalent Re3+ atoms to form CU3Re3 octahedra that share corners with six equivalent CU4Re2 octahedra, edges with six equivalent CU3Re3 octahedra, and a faceface with one CU4Re2 octahedra. The corner-sharing octahedra tilt angles range from 39–60°.