Materials Data on U3TiGe5 by Materials Project

Abstract

U3TiGe5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. U is bonded in a 9-coordinate geometry to nine Ge atoms. There are a spread of U–Ge bond distances ranging from 2.93–3.03 Å. Ti is bonded to six equivalent Ge atoms to form face-sharing TiGe6 octahedra. All Ti–Ge bond lengths are 2.65 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to five equivalent U and two equivalent Ti atoms to form a mixture of distorted edge, face, and corner-sharing GeU5Ti2 pentagonal bipyramids. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent U and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.83 Å.