Li2PtAl crystallizes in the cubic F-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Li(2), six equivalent Pt(1), and four equivalent Al(1) atoms to form distorted LiLi4Al4Pt6 tetrahedra that share corners with six equivalent Li(1)Li4Al4Pt6 tetrahedra, corners with twelve equivalent Li(2)Li4Pt4 tetrahedra, faces with four equivalent Li(2)Li4Pt4 tetrahedra, and faces with twelve equivalent Li(1)Li4Al4Pt6 tetrahedra. In the second Li site, Li(2) is bonded to four equivalent Li(1) and four equivalent Pt(1) atoms to form distorted LiLi4Pt4 tetrahedra that share corners with twelve equivalent Li(1)Li4Al4Pt6 tetrahedra, edges with twelve equivalent Li(2)Li4Pt4 tetrahedra, and faces with four equivalent Li(1)Li4Al4Pt6 tetrahedra. Pt(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(2), six equivalent Li(1), and four equivalent Al(1) atoms. Al(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(1) and four equivalent Pt(1) atoms.
Li2PtAl crystallizes in the cubic F-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Li(2), six equivalent Pt(1), and four equivalent Al(1) atoms to form distorted LiLi4Al4Pt6 tetrahedra that share corners with six equivalent Li(1)Li4Al4Pt6 tetrahedra, corners with twelve equivalent Li(2)Li4Pt4 tetrahedra, faces with four equivalent Li(2)Li4Pt4 tetrahedra, and faces with twelve equivalent Li(1)Li4Al4Pt6 tetrahedra. All Li(1)-Li(2) bond lengths are 2.60 Å. All Li(1)-Pt(1) bond lengths are 3.00 Å. All Li(1)-Al(1) bond lengths are 2.60 Å. In the second Li site, Li(2) is bonded to four equivalent Li(1) and four equivalent Pt(1) atoms to form distorted LiLi4Pt4 tetrahedra that share corners with twelve equivalent Li(1)Li4Al4Pt6 tetrahedra, edges with twelve equivalent Li(2)Li4Pt4 tetrahedra, and faces with four equivalent Li(1)Li4Al4Pt6 tetrahedra. All Li(2)-Pt(1) bond lengths are 2.60 Å. Pt(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(2), six equivalent Li(1), and four equivalent Al(1) atoms. All Pt(1)-Al(1) bond lengths are 2.60 Å. Al(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(1) and four equivalent Pt(1) atoms.