Materials Data on KYb2F7 by Materials Project

Abstract

KYb2F7 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. K1+ is bonded in a distorted q6 geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.86–3.13 Å. Yb3+ is bonded to seven F1- atoms to form a mixture of corner and edge-sharing YbF7 pentagonal bipyramids. There are a spread of Yb–F bond distances ranging from 2.19–2.30 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted water-like geometry to two equivalent K1+ and two equivalent Yb3+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Yb3+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one K1+ and two equivalent Yb3+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to two equivalent Yb3+ atoms.