Materials Data on KY3F10 by Materials Project

Abstract

KY3F10 crystallizes in the trigonal R3m space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are one shorter (2.75 Å) and six longer (3.00 Å) K–F bond lengths. Y3+ is bonded to seven F1- atoms to form distorted corner-sharing YF7 pentagonal bipyramids. There are a spread of Y–F bond distances ranging from 2.17–2.67 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and two equivalent Y3+ atoms. In the second F1- site, F1- is bonded in a trigonal pyramidal geometry to one K1+ and three equivalent Y3+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Y3+ atoms.