Materials Data on SmMgF4 by Materials Project

Abstract

MgSmF4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded to six F1- atoms to form distorted corner-sharing MgF6 octahedra. The corner-sharing octahedra tilt angles range from 0–28°. There are a spread of Mg–F bond distances ranging from 1.91–2.25 Å. Sm2+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. All Sm–F bond lengths are 2.45 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Mg2+ atoms. In the second F1- site, F1- is bonded to one Mg2+ and three equivalent Sm2+ atoms to form a mixture of corner and edge-sharing FSm3Mg tetrahedra. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mg2+ atoms.