Materials Data on Na3Pt by Materials Project
Na3Pt is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Pt atoms to form distorted NaNa4Pt4 tetrahedra that share corners with eight equivalent NaNa8Pt4 cuboctahedra, corners with eight equivalent PtNa12 cuboctahedra, corners with eight equivalent NaNa4Pt4 tetrahedra, edges with four equivalent NaNa8Pt4 cuboctahedra, edges with four equivalent PtNa12 cuboctahedra, edges with twelve equivalent NaNa4Pt4 tetrahedra, and faces with six equivalent NaNa4Pt4 tetrahedra. All Na–Na bond lengths are 3.07 Å. All Na–Pt bond lengths are 3.07 Å. In the second Na site, Na is bonded to eight equivalent Na and four equivalent Pt atoms to form NaNa8Pt4 cuboctahedra that share corners with four equivalent NaNa8Pt4 cuboctahedra, corners with eight equivalent PtNa12 cuboctahedra, corners with sixteen equivalent NaNa4Pt4 tetrahedra, edges with eight equivalent NaNa8Pt4 cuboctahedra, edges with eight equivalent NaNa4Pt4 tetrahedra, faces with four equivalent NaNa8Pt4 cuboctahedra, and faces with six equivalent PtNa12 cuboctahedra. All Na–Pt bond lengths are 3.39 Å. Pt is bonded to twelve Na atoms to form distorted PtNa12 cuboctahedra that share corners with four equivalent PtNa12 cuboctahedra, corners with eight equivalent NaNa8Pt4 cuboctahedra, corners with sixteen equivalent NaNa4Pt4 tetrahedra, edges with eight equivalent PtNa12 cuboctahedra, edges with eight equivalent NaNa4Pt4 tetrahedra, faces with four equivalent PtNa12 cuboctahedra, and faces with six equivalent NaNa8Pt4 cuboctahedra.