Materials Data on KY3F10 by Materials Project

Abstract

KY3F10 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to sixteen F1- atoms to form distorted edge-sharing KF16 tetrahedra. There are four shorter (2.81 Å) and twelve longer (3.25 Å) K–F bond lengths. Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.23 Å) and four longer (2.39 Å) Y–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to one K1+ and three equivalent Y3+ atoms to form a mixture of distorted edge and corner-sharing FKY3 tetrahedra. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent K1+ and two equivalent Y3+ atoms.