Materials Data on KDy3F10 by Materials Project

Abstract

KDy3F10 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 (2.78 Å) and twelve longer (3.23 Å) K–F bond lengths. Dy3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.22 Å) and four longer (2.38 Å) Dy–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent K1+ and two equivalent Dy3+ atoms. In the second F1- site, F1- is bonded to one K1+ and three equivalent Dy3+ atoms to form a mixture of edge and corner-sharing FKDy3 tetrahedra.