Materials Data on Na3PaF8 by Materials Project

Abstract

Na3PaF8 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Na–F bond lengths are 2.45 Å. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Na–F bond lengths are 2.46 Å. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Pa–F bond lengths are 2.22 Å. F1- is bonded to three Na1+ and one Pa5+ atom to form a mixture of edge and corner-sharing FNa3Pa tetrahedra.