Ni2VAl is Tetraauricupride-derived structured and crystallizes in the tetragonal P4/mmm space group. V(1) is bonded to four equivalent V(1) and eight equivalent Ni(1) atoms to form distorted VV4Ni8 cuboctahedra that share corners with four equivalent V(1)V4Ni8 cuboctahedra, corners with sixteen equivalent Ni(1)Al4V4 cuboctahedra, edges with eight equivalent Ni(1)Al4V4 cuboctahedra, and faces with eight equivalent V(1)V4Ni8 cuboctahedra. Ni(1) is bonded to four equivalent V(1) and four equivalent Al(1) atoms to form distorted NiAl4V4 cuboctahedra that share corners with eight equivalent V(1)V4Ni8 cuboctahedra, corners with eight equivalent Ni(1)Al4V4 cuboctahedra, edges with four equivalent V(1)V4Ni8 cuboctahedra, edges with twelve equivalent Ni(1)Al4V4 cuboctahedra, and faces with six equivalent Ni(1)Al4V4 cuboctahedra. Al(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ni(1) atoms.
Ni2VAl is Tetraauricupride-derived structured and crystallizes in the tetragonal P4/mmm space group. V(1) is bonded to four equivalent V(1) and eight equivalent Ni(1) atoms to form distorted VV4Ni8 cuboctahedra that share corners with four equivalent V(1)V4Ni8 cuboctahedra, corners with sixteen equivalent Ni(1)Al4V4 cuboctahedra, edges with eight equivalent Ni(1)Al4V4 cuboctahedra, and faces with eight equivalent V(1)V4Ni8 cuboctahedra. All V(1)-V(1) bond lengths are 2.65 Å. All V(1)-Ni(1) bond lengths are 2.59 Å. Ni(1) is bonded to four equivalent V(1) and four equivalent Al(1) atoms to form distorted NiAl4V4 cuboctahedra that share corners with eight equivalent V(1)V4Ni8 cuboctahedra, corners with eight equivalent Ni(1)Al4V4 cuboctahedra, edges with four equivalent V(1)V4Ni8 cuboctahedra, edges with twelve equivalent Ni(1)Al4V4 cuboctahedra, and faces with six equivalent Ni(1)Al4V4 cuboctahedra. All Ni(1)-Al(1) bond lengths are 2.49 Å. Al(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ni(1) atoms.