Results for “Li3Pt” | Engineering Papers

DOE OSTI2020

Materials Data on Li3Pt by Materials Project

Li3Pt is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Pt atoms to form a mixture of distorted edge, corner, and face-sharing LiLi4Pt4 tetrahedra. All Li–Li bond lengths are 2.63 Å. All Li–Pt bond lengths are 2.63 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Pt atoms. All Li–Pt bond lengths are 3.04 Å. Pt is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Li3Pt by Materials Project

Li3Pt is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to four equivalent Li and four equivalent Pt atoms. All Li–Li bond lengths are 2.68 Å. All Li–Pt bond lengths are 2.68 Å. In the second Li site, Li is bonded to eight equivalent Li and four equivalent Pt atoms to form distorted LiLi8Pt4 cuboctahedra that share corners with four equivalent LiLi8Pt4 cuboctahedra, corners with eight equivalent PtLi12 cuboctahedra, edges with eight equivalent LiLi8Pt4 cuboctahedra, faces with four equivalent LiLi8Pt4 cuboctahedra, and faces with six equivalent PtLi12 cuboctahedra. All Li–Pt bond lengths are 2.78 Å. Pt is bonded to twelve Li atoms to form PtLi12 cuboctahedra that share corners with four equivalent PtLi12 cuboctahedra, corners with eight equivalent LiLi8Pt4 cuboctahedra, edges with eight equivalent PtLi12 cuboctahedra, faces with four equivalent PtLi12 cuboctahedra, and faces with six equivalent LiLi8Pt4 cuboctahedra.

36 MATERIALS SCIENCE↗