Materials Data on KSmF4 by Materials Project

Abstract

KSmF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of K–F bond distances ranging from 2.63–2.77 Å. Sm3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sm–F bond distances ranging from 2.28–2.50 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Sm3+ atom. In the second F1- site, F1- is bonded to two equivalent K1+ and two equivalent Sm3+ atoms to form distorted FK2Sm2 tetrahedra that share corners with ten FK2Sm2 tetrahedra and an edgeedge with one FKSm3 tetrahedra. In the third F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sm3+ atoms. In the fourth F1- site, F1- is bonded to one K1+ and three equivalent Sm3+ atoms to form FKSm3 tetrahedra that share corners with eight FK2Sm2 tetrahedra and edges with three FKSm3 tetrahedra.