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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HfVGe by Materials Project

HfVGe crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hf is bonded in a 5-coordinate geometry to four equivalent V and five equivalent Ge atoms. All Hf–V bond lengths are 3.16 Å. There are four shorter (2.73 Å) and one longer (2.82 Å) Hf–Ge bond lengths. V is bonded to four equivalent Hf, four equivalent V, and four equivalent Ge atoms to form a mixture of distorted corner and face-sharing VHf4V4Ge4 cuboctahedra. All V–V bond lengths are 2.63 Å. All V–Ge bond lengths are 2.62 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent V atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2V3Ge by Materials Project

Hf2V3Ge crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to nine equivalent V and three equivalent Ge atoms. There are three shorter (3.00 Å) and six longer (3.05 Å) Hf–V bond lengths. All Hf–Ge bond lengths are 3.02 Å. V is bonded to six equivalent Hf, four equivalent V, and two equivalent Ge atoms to form distorted VHf6V4Ge2 cuboctahedra that share corners with four equivalent GeHf6V6 cuboctahedra, corners with fourteen equivalent VHf6V4Ge2 cuboctahedra, edges with six equivalent VHf6V4Ge2 cuboctahedra, faces with six equivalent GeHf6V6 cuboctahedra, and faces with twelve equivalent VHf6V4Ge2 cuboctahedra. There are two shorter (2.40 Å) and two longer (2.75 Å) V–V bond lengths. Both V–Ge bond lengths are 2.67 Å. Ge is bonded to six equivalent Hf and six equivalent V atoms to form GeHf6V6 cuboctahedra that share corners with twelve equivalent VHf6V4Ge2 cuboctahedra, edges with six equivalent GeHf6V6 cuboctahedra, faces with two equivalent GeHf6V6 cuboctahedra, and faces with eighteen equivalent VHf6V4Ge2 cuboctahedra.

36 MATERIALS SCIENCE↗