Materials Data on Nb2InC by Materials Project

Abstract

Nb2InC 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 In and three equivalent C atoms. All Nb–In bond lengths are 3.06 Å. All Nb–C bond lengths are 2.20 Å. In is bonded to six equivalent Nb and six equivalent In atoms to form distorted InNb6In6 cuboctahedra that share corners with six equivalent InNb6In6 cuboctahedra, corners with six equivalent CNb6 octahedra, edges with six equivalent InNb6In6 cuboctahedra, edges with six equivalent CNb6 octahedra, and faces with six equivalent InNb6In6 cuboctahedra. The corner-sharing octahedral tilt angles are 20°. All In–In bond lengths are 3.20 Å. C is bonded to six equivalent Nb atoms to form CNb6 octahedra that share corners with six equivalent InNb6In6 cuboctahedra, edges with six equivalent InNb6In6 cuboctahedra, and edges with six equivalent CNb6 octahedra.