Materials Data on DyBeNF6 by Materials Project

Abstract

BeDyNF6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There is two shorter (1.56 Å) and two longer (1.57 Å) Be–F bond length. Dy3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Dy–F bond distances ranging from 2.16–2.46 Å. N1+ is bonded in an L-shaped geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.85 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to one Be2+ and one Dy3+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to one Be2+ and one Dy3+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Dy3+ and one N1+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Be2+ and one Dy3+ atom.