Materials Data on Na2CeF6 by Materials Project

Abstract

Na2CeF6 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are three shorter (2.33 Å) and three longer (2.44 Å) Na–F bond lengths. Ce4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.21 Å) and six longer (2.43 Å) Ce–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Ce4+ atoms to form a mixture of distorted corner and edge-sharing FNa2Ce2 tetrahedra. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Ce4+ atom.