Materials Data on CrSiNi by Materials Project

NiCrSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cr2+ is bonded to five equivalent Si4- atoms to form distorted CrSi5 square pyramids that share corners with eight equivalent CrSi5 square pyramids, corners with eight equivalent NiSi4 tetrahedra, edges with six equivalent CrSi5 square pyramids, and edges with six equivalent NiSi4 tetrahedra. There are a spread of Cr–Si bond distances ranging from 2.47–2.57 Å. Ni2+ is bonded to four equivalent Si4- atoms to form NiSi4 tetrahedra that share corners with eight equivalent CrSi5 square pyramids, corners with eight equivalent NiSi4 tetrahedra, edges with six equivalent CrSi5 square pyramids, and edges with two equivalent NiSi4 tetrahedra. There are a spread of Ni–Si bond distances ranging from 2.27–2.30 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Cr2+ and four equivalent Ni2+ atoms.