Materials Data on Na2CrF4 by Materials Project

Abstract

Na2CrF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.33–2.81 Å. Cr2+ is bonded to six F1- atoms to form edge-sharing CrF6 octahedra. There are a spread of Cr–F bond distances ranging from 2.03–2.46 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent Cr2+ atoms. In the second F1- site, F1- is bonded to four equivalent Na1+ and one Cr2+ atom to form a mixture of distorted edge and corner-sharing FNa4Cr trigonal bipyramids.