Materials Data on KPrF4 by Materials Project

Abstract

KPrF4 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 2.65–2.79 Å. Pr3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Pr–F bond distances ranging from 2.33–2.55 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 Pr3+ atom. In the second F1- site, F1- is bonded to two equivalent K1+ and two equivalent Pr3+ atoms to form distorted FK2Pr2 tetrahedra that share corners with ten FK2Pr2 tetrahedra and an edgeedge with one FKPr3 tetrahedra. In the third F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent Pr3+ atoms. In the fourth F1- site, F1- is bonded to one K1+ and three equivalent Pr3+ atoms to form FKPr3 tetrahedra that share corners with eight FK2Pr2 tetrahedra and edges with three FKPr3 tetrahedra.