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 to five C4- atoms to form UC5 square pyramids that share corners with two equivalent UC5 square pyramids, corners with seven equivalent ReC4 trigonal pyramids, edges with five equivalent UC5 square pyramids, and edges with three equivalent ReC4 trigonal pyramids. There are a spread of U–C bond distances ranging from 2.41–2.47 Å. Re3+ is bonded to four C4- atoms to form ReC4 trigonal pyramids that share corners with seven equivalent UC5 square pyramids, corners with three equivalent ReC4 trigonal pyramids, edges with three equivalent UC5 square pyramids, and edges with two equivalent ReC4 trigonal pyramids. There are a spread of Re–C bond distances ranging from 2.06–2.16 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent U3+ and three equivalent Re3+ atoms to form CU3Re3 octahedra that share corners with three equivalent CU4Re2 octahedra and edges with nine CU3Re3 octahedra. The corner-sharing octahedra tilt angles range from 18–27°. In the second C4- site, C4- is bonded to four equivalent U3+ and two equivalent Re3+ atoms to form a mixture of edge and corner-sharing CU4Re2 octahedra. The corner-sharing octahedra tilt angles range from 18–27°.