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Materials Data on Na3Tl by Materials Project

Na3Tl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to eight equivalent Na and four equivalent Tl atoms to form distorted NaNa8Tl4 cuboctahedra that share corners with twelve equivalent NaNa8Tl4 cuboctahedra, edges with eight equivalent TlNa12 cuboctahedra, edges with sixteen equivalent NaNa8Tl4 cuboctahedra, faces with four equivalent TlNa12 cuboctahedra, and faces with fourteen equivalent NaNa8Tl4 cuboctahedra. All Na–Na bond lengths are 3.52 Å. All Na–Tl bond lengths are 3.52 Å. Tl is bonded to twelve equivalent Na atoms to form TlNa12 cuboctahedra that share corners with twelve equivalent TlNa12 cuboctahedra, edges with twenty-four equivalent NaNa8Tl4 cuboctahedra, faces with six equivalent TlNa12 cuboctahedra, and faces with twelve equivalent NaNa8Tl4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Na3Tl by Materials Project

Na3Tl is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m 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 Tl atoms to form a mixture of distorted corner, edge, and face-sharing NaNa4Tl4 tetrahedra. All Na–Na bond lengths are 3.42 Å. All Na–Tl bond lengths are 3.42 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Na atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Na atoms.

36 MATERIALS SCIENCE↗