Materials Data on Ti2AlGe3 by Materials Project

Abstract

Ti2AlGe3 is Zirconium Disilicide-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 10-coordinate geometry to two equivalent Al and eight Ge atoms. Both Ti–Al bond lengths are 2.81 Å. There are a spread of Ti–Ge bond distances ranging from 2.65–2.97 Å. In the second Ti site, Ti is bonded in a 10-coordinate geometry to two equivalent Al and eight Ge atoms. Both Ti–Al bond lengths are 2.83 Å. There are a spread of Ti–Ge bond distances ranging from 2.66–2.98 Å. Al is bonded in a distorted rectangular see-saw-like geometry to four Ti and four equivalent Ge atoms. All Al–Ge bond lengths are 2.62 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four Ti and four equivalent Al atoms. In the second Ge site, Ge is bonded in a 4-coordinate geometry to six Ti and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.63 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to six Ti and two equivalent Ge atoms.