Materials Data on Na3Ti by Materials Project

Abstract

Na3Ti is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to eight equivalent Na and four equivalent Ti atoms to form distorted NaNa8Ti4 cuboctahedra that share corners with twelve equivalent NaNa8Ti4 cuboctahedra, edges with eight equivalent TiNa12 cuboctahedra, edges with sixteen equivalent NaNa8Ti4 cuboctahedra, faces with four equivalent TiNa12 cuboctahedra, and faces with fourteen equivalent NaNa8Ti4 cuboctahedra. All Na–Na bond lengths are 3.47 Å. All Na–Ti bond lengths are 3.47 Å. Ti is bonded to twelve equivalent Na atoms to form TiNa12 cuboctahedra that share corners with twelve equivalent TiNa12 cuboctahedra, edges with twenty-four equivalent NaNa8Ti4 cuboctahedra, faces with six equivalent TiNa12 cuboctahedra, and faces with twelve equivalent NaNa8Ti4 cuboctahedra.