Na3HfF8 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. In the second Na site, Na(2) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. Hf(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. F(1) is bonded to one Na(1), two equivalent Na(2), and one Hf(1) atom to form a mixture of edge and corner-sharing FNa3Hf tetrahedra.
Na3HfF8 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. All Na(1)-F(1) bond lengths are 2.41 Å. In the second Na site, Na(2) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. All Na(2)-F(1) bond lengths are 2.41 Å. Hf(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. All Hf(1)-F(1) bond lengths are 2.12 Å. F(1) is bonded to one Na(1), two equivalent Na(2), and one Hf(1) atom to form a mixture of edge and corner-sharing FNa3Hf tetrahedra.