Materials Data on SmBeF4 by Materials Project

Abstract

BeSmF4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Be–F bond distances ranging from 1.55–1.62 Å. Sm2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Sm–F bond distances ranging from 2.34–2.82 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Be2+ and one Sm2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and one Sm2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and two equivalent Sm2+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and two equivalent Sm2+ atoms.