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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ta5Ge3 by Materials Project

Ta5Ge3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Ta–Ge bond distances ranging from 2.65–2.94 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to six equivalent Ge atoms. All Ta–Ge bond lengths are 2.70 Å. Ge is bonded in a 9-coordinate geometry to nine Ta atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta5Ge3 by Materials Project

Ta5Ge3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Ta–Ge bond distances ranging from 2.68–2.76 Å. In the second Ta site, Ta is bonded to six Ge atoms to form distorted corner-sharing TaGe6 octahedra. The corner-sharing octahedra tilt angles range from 0–49°. There are four shorter (2.59 Å) and two longer (3.03 Å) Ta–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Ta and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to ten Ta atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta5Ge3 by Materials Project

Ta5Ge3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ta–Ge bond distances ranging from 2.69–2.98 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to two equivalent Ta and four equivalent Ge atoms. Both Ta–Ta bond lengths are 2.60 Å. All Ta–Ge bond lengths are 2.73 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Ta atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to eight equivalent Ta and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.60 Å.

36 MATERIALS SCIENCE↗