Li3Pt is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to four equivalent Li(2) and four equivalent Pt(1) atoms. In the second Li site, Li(2) is bonded to eight equivalent Li(1) and four equivalent Pt(1) atoms to form distorted LiLi8Pt4 cuboctahedra that share corners with four equivalent Li(2)Li8Pt4 cuboctahedra, corners with eight equivalent Pt(1)Li12 cuboctahedra, edges with eight equivalent Li(2)Li8Pt4 cuboctahedra, faces with four equivalent Li(2)Li8Pt4 cuboctahedra, and faces with six equivalent Pt(1)Li12 cuboctahedra. Pt(1) is bonded to four equivalent Li(2) and eight equivalent Li(1) atoms to form PtLi12 cuboctahedra that share corners with four equivalent Pt(1)Li12 cuboctahedra, corners with eight equivalent Li(2)Li8Pt4 cuboctahedra, edges with eight equivalent Pt(1)Li12 cuboctahedra, faces with four equivalent Pt(1)Li12 cuboctahedra, and faces with six equivalent Li(2)Li8Pt4 cuboctahedra.
Li3Pt is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to four equivalent Li(2) and four equivalent Pt(1) atoms. All Li(1)-Li(2) bond lengths are 2.68 Å. All Li(1)-Pt(1) bond lengths are 2.68 Å. In the second Li site, Li(2) is bonded to eight equivalent Li(1) and four equivalent Pt(1) atoms to form distorted LiLi8Pt4 cuboctahedra that share corners with four equivalent Li(2)Li8Pt4 cuboctahedra, corners with eight equivalent Pt(1)Li12 cuboctahedra, edges with eight equivalent Li(2)Li8Pt4 cuboctahedra, faces with four equivalent Li(2)Li8Pt4 cuboctahedra, and faces with six equivalent Pt(1)Li12 cuboctahedra. All Li(2)-Pt(1) bond lengths are 2.78 Å. Pt(1) is bonded to four equivalent Li(2) and eight equivalent Li(1) atoms to form PtLi12 cuboctahedra that share corners with four equivalent Pt(1)Li12 cuboctahedra, corners with eight equivalent Li(2)Li8Pt4 cuboctahedra, edges with eight equivalent Pt(1)Li12 cuboctahedra, faces with four equivalent Pt(1)Li12 cuboctahedra, and faces with six equivalent Li(2)Li8Pt4 cuboctahedra.