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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AlVNi2 by Materials Project

Ni2VAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All V–Ni bond lengths are 2.51 Å. Ni is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Al atoms. All Ni–Al bond lengths are 2.51 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlVNi by Materials Project

NiVAl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to four equivalent Ni and four equivalent Al atoms. All V–Ni bond lengths are 2.47 Å. All V–Al bond lengths are 2.47 Å. Ni is bonded in a 4-coordinate geometry to four equivalent V and six equivalent Al atoms. All Ni–Al bond lengths are 2.85 Å. Al is bonded in a distorted q6 geometry to four equivalent V and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al2VNi9 by Materials Project

VNi9Al2 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. V is bonded to twelve Ni atoms to form VNi12 cuboctahedra that share corners with four equivalent VNi12 cuboctahedra, corners with eight equivalent AlNi12 cuboctahedra, edges with twenty-four NiAl4Ni8 cuboctahedra, faces with two equivalent AlNi12 cuboctahedra, faces with four equivalent VNi12 cuboctahedra, and faces with twelve NiV4Ni8 cuboctahedra. There are eight shorter (2.48 Å) and four longer (2.51 Å) V–Ni bond lengths. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent V and eight equivalent Ni atoms to form NiV4Ni8 cuboctahedra that share corners with twelve NiV4Ni8 cuboctahedra, edges with eight equivalent AlNi12 cuboctahedra, edges with sixteen equivalent NiAl2V2Ni8 cuboctahedra, faces with four equivalent VNi12 cuboctahedra, and faces with fourteen NiV4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.48 Å. In the second Ni site, Ni is bonded to eight Ni and four equivalent Al atoms to form NiAl4Ni8 cuboctahedra that share corners with twelve NiV4Ni8 cuboctahedra, edges with four equivalent VNi12 cuboctahedra, edges with four equivalent AlNi12 cuboctahedra, edges with sixteen NiAl2V2Ni8 cuboctahedra, faces with four equivalent AlNi12 cuboctahedra, and faces with fourteen NiV4Ni8 cuboctahedra. There are four shorter (2.51 Å) and four longer (2.53 Å) Ni–Ni bond lengths. All Ni–Al bond lengths are 2.51 Å. In the third Ni site, Ni is bonded to two equivalent V, eight Ni, and two equivalent Al atoms to form NiAl2V2Ni8 cuboctahedra that share corners with twelve NiAl2V2Ni8 cuboctahedra, edges with four equivalent VNi12 cuboctahedra, edges with four equivalent AlNi12 cuboctahedra, edges with sixteen NiV4Ni8 cuboctahedra, faces with two equivalent VNi12 cuboctahedra, faces with two equivalent AlNi12 cuboctahedra, and faces with fourteen NiV4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.51 Å. Both Ni–Al bond lengths are 2.55 Å. In the fourth Ni site, Ni is bonded to eight Ni and four equivalent Al atoms to form NiAl4Ni8 cuboctahedra that share corners with twelve NiAl2V2Ni8 cuboctahedra, edges with eight equivalent AlNi12 cuboctahedra, edges with sixteen NiAl4Ni8 cuboctahedra, faces with four equivalent AlNi12 cuboctahedra, and faces with fourteen NiAl4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.51 Å. All Ni–Al bond lengths are 2.49 Å. In the fifth Ni site, Ni is bonded to eight Ni and four equivalent Al atoms to form NiAl4Ni8 cuboctahedra that share corners with twelve NiAl4Ni8 cuboctahedra, edges with eight equivalent AlNi12 cuboctahedra, edges with sixteen NiAl4Ni8 cuboctahedra, faces with four equivalent AlNi12 cuboctahedra, and faces with fourteen NiAl4Ni8 cuboctahedra. All Ni–Al bond lengths are 2.49 Å. Al is bonded to twelve Ni atoms to form AlNi12 cuboctahedra that share corners with four equivalent VNi12 cuboctahedra, corners with eight equivalent AlNi12 cuboctahedra, edges with twenty-four NiV4Ni8 cuboctahedra, a faceface with one VNi12 cuboctahedra, faces with five equivalent AlNi12 cuboctahedra, and faces with twelve NiAl4Ni8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlVNi2 by Materials Project

Ni2VAl is Tetraauricupride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. V is bonded to four equivalent V and eight equivalent Ni atoms to form distorted VV4Ni8 cuboctahedra that share corners with four equivalent VV4Ni8 cuboctahedra, corners with sixteen equivalent NiAl4V4 cuboctahedra, edges with eight equivalent NiAl4V4 cuboctahedra, and faces with eight equivalent VV4Ni8 cuboctahedra. All V–V bond lengths are 2.65 Å. All V–Ni bond lengths are 2.59 Å. Ni is bonded to four equivalent V and four equivalent Al atoms to form distorted NiAl4V4 cuboctahedra that share corners with eight equivalent VV4Ni8 cuboctahedra, corners with eight equivalent NiAl4V4 cuboctahedra, edges with four equivalent VV4Ni8 cuboctahedra, edges with twelve equivalent NiAl4V4 cuboctahedra, and faces with six equivalent NiAl4V4 cuboctahedra. All Ni–Al bond lengths are 2.49 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗