Materials Data on Nb2AlC by Materials Project
Nb2AlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent C atoms. All Nb–Al bond lengths are 2.88 Å. All Nb–C bond lengths are 2.19 Å. Al is bonded to six equivalent Nb atoms to form distorted AlNb6 cuboctahedra that share corners with six equivalent CNb6 octahedra, edges with six equivalent AlNb6 cuboctahedra, and edges with six equivalent CNb6 octahedra. The corner-sharing octahedral tilt angles are 17°. C is bonded to six equivalent Nb atoms to form CNb6 octahedra that share corners with six equivalent AlNb6 cuboctahedra, edges with six equivalent AlNb6 cuboctahedra, and edges with six equivalent CNb6 octahedra.