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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZrVGe by Materials Project

ZrVGe crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr is bonded in a 5-coordinate geometry to four equivalent V and five equivalent Ge atoms. All Zr–V bond lengths are 3.18 Å. There are four shorter (2.75 Å) and one longer (2.87 Å) Zr–Ge bond lengths. V is bonded to four equivalent Zr, four equivalent V, and four equivalent Ge atoms to form a mixture of distorted face and corner-sharing VZr4V4Ge4 cuboctahedra. All V–V bond lengths are 2.65 Å. All V–Ge bond lengths are 2.63 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Zr and four equivalent V atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr2V3Ge4 by Materials Project

Zr2V3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Zr–Ge bond distances ranging from 2.73–2.87 Å. There are two inequivalent V sites. In the first V site, V is bonded to six Ge atoms to form distorted corner-sharing VGe6 octahedra. The corner-sharing octahedra tilt angles range from 45–53°. There are a spread of V–Ge bond distances ranging from 2.57–2.68 Å. In the second V site, V is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of V–Ge bond distances ranging from 2.49–2.62 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Zr, six V, and one Ge atom. The Ge–Ge bond length is 2.59 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Zr, four V, and one Ge atom. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Zr and four V atoms.

36 MATERIALS SCIENCE↗