Materials Data on NaLiPt by Materials Project
NaLiPt is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded to four equivalent Li1+ and four equivalent Pt2- atoms to form NaLi4Pt4 tetrahedra that share corners with twelve equivalent PtNa4Li6 tetrahedra, edges with twelve equivalent NaLi4Pt4 tetrahedra, and faces with four equivalent PtNa4Li6 tetrahedra. All Na–Li bond lengths are 2.76 Å. All Na–Pt bond lengths are 2.76 Å. Li1+ is bonded in a 10-coordinate geometry to four equivalent Na1+ and six equivalent Pt2- atoms. All Li–Pt bond lengths are 3.18 Å. Pt2- is bonded to four equivalent Na1+ and six equivalent Li1+ atoms to form distorted PtNa4Li6 tetrahedra that share corners with six equivalent PtNa4Li6 tetrahedra, corners with twelve equivalent NaLi4Pt4 tetrahedra, faces with four equivalent NaLi4Pt4 tetrahedra, and faces with twelve equivalent PtNa4Li6 tetrahedra.