Materials Data on CrIn3 by Materials Project

Abstract

CrIn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr is bonded to twelve equivalent In atoms to form CrIn12 cuboctahedra that share corners with six equivalent CrIn12 cuboctahedra, corners with twelve equivalent InCr4In8 cuboctahedra, edges with eighteen equivalent InCr4In8 cuboctahedra, faces with eight equivalent CrIn12 cuboctahedra, and faces with twelve equivalent InCr4In8 cuboctahedra. There are six shorter (3.11 Å) and six longer (3.20 Å) Cr–In bond lengths. In is bonded to four equivalent Cr and eight equivalent In atoms to form InCr4In8 cuboctahedra that share corners with four equivalent CrIn12 cuboctahedra, corners with fourteen equivalent InCr4In8 cuboctahedra, edges with six equivalent CrIn12 cuboctahedra, edges with twelve equivalent InCr4In8 cuboctahedra, faces with four equivalent CrIn12 cuboctahedra, and faces with sixteen equivalent InCr4In8 cuboctahedra. There are a spread of In–In bond distances ranging from 3.05–3.24 Å.