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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on U2Ta3Ge4 by Materials Project

U2Ta3Ge4 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of U–Ge bond distances ranging from 2.74–2.94 Å. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 5-coordinate geometry to six Ge atoms. There are a spread of Ta–Ge bond distances ranging from 2.63–3.17 Å. In the second 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 2.71–2.96 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent U, six Ta, and one Ge atom. The Ge–Ge bond length is 2.64 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent U and four Ta atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Ta, and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U2Ta3Ge4 by Materials Project

U2Ta3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of U–Ge bond distances ranging from 2.86–3.01 Å. 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 2.62–2.78 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 46–53°. There are a spread of Ta–Ge bond distances ranging from 2.74–2.83 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Ta, and one Ge atom. The Ge–Ge bond length is 2.68 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Ta, and one Ge atom. The Ge–Ge bond length is 2.79 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent U, six Ta, and one Ge atom.

36 MATERIALS SCIENCE↗