Materials Data on K6YO4 by Materials Project

Abstract

K6YO4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to four O atoms. There are a spread of K–O bond distances ranging from 2.86–3.30 Å. In the second K site, K is bonded in a 5-coordinate geometry to five O atoms. There are a spread of K–O bond distances ranging from 2.68–3.25 Å. Y is bonded in a tetrahedral geometry to four O atoms. All Y–O bond lengths are 2.17 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to seven K and one Y atom. In the second O site, O is bonded in a 1-coordinate geometry to six K and one Y atom.