Materials Data on SiCN by Materials Project

Abstract

SiCN is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Si4+ is bonded in a body-centered cubic geometry to four equivalent C2- and four equivalent N2- atoms. All Si–C bond lengths are 2.06 Å. All Si–N bond lengths are 2.06 Å. C2- is bonded to four equivalent Si4+ atoms to form CSi4 tetrahedra that share corners with four equivalent NSi4 tetrahedra, corners with twelve equivalent CSi4 tetrahedra, and edges with six equivalent NSi4 tetrahedra. N2- is bonded to four equivalent Si4+ atoms to form NSi4 tetrahedra that share corners with four equivalent CSi4 tetrahedra, corners with twelve equivalent NSi4 tetrahedra, and edges with six equivalent CSi4 tetrahedra.