Materials Data on NaCdF3 by Materials Project

Abstract

NaCdF3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Na–F bond distances ranging from 2.14–2.40 Å. Cd2+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Cd–F bond distances ranging from 2.08–2.30 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing FNa2Cd2 tetrahedra. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Na1+ and one Cd2+ atom. In the third F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing FNa2Cd2 tetrahedra.