Materials Data on Na3HfF8 by Materials Project

Abstract

Na3HfF8 is Fluorite-derived 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 in a body-centered cubic geometry to eight equivalent F atoms. All Na–F bond lengths are 2.41 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent F atoms. All Na–F bond lengths are 2.41 Å. Hf is bonded in a body-centered cubic geometry to eight equivalent F atoms. All Hf–F bond lengths are 2.12 Å. F is bonded to three Na and one Hf atom to form a mixture of corner and edge-sharing FNa3Hf tetrahedra.