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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ti3Ge by Materials Project

GeTi3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to four equivalent Ti and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing TiTi4Ge4 tetrahedra. All Ti–Ti bond lengths are 2.75 Å. All Ti–Ge bond lengths are 2.75 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Ge atoms. All Ti–Ge bond lengths are 3.18 Å. Ge is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti3Ge by Materials Project

GeTi3 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted water-like geometry to two equivalent Ge atoms. There are one shorter (2.62 Å) and one longer (2.73 Å) Ti–Ge bond lengths. In the second Ti site, Ti is bonded in a 3-coordinate geometry to three equivalent Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.60–2.80 Å. In the third Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.62–2.68 Å. Ge is bonded in a 9-coordinate geometry to nine Ti atoms.

36 MATERIALS SCIENCE↗