Materials Data on Na2YF6 by Materials Project

Abstract

Na2YF6 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Na is bonded in a 9-coordinate geometry to nine F atoms. There are three shorter (2.33 Å) and six longer (2.63 Å) Na–F bond lengths. Y is bonded in a 9-coordinate geometry to nine F atoms. There are three shorter (2.28 Å) and six longer (2.35 Å) Y–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a 5-coordinate geometry to four equivalent Na and one Y atom. In the second F site, F is bonded to two equivalent Na and two equivalent Y atoms to form a mixture of edge and corner-sharing FNa2Y2 tetrahedra.