Materials Data on KSeO4 by Materials Project

Abstract

KSeO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.76–3.29 Å. In the second K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.75–3.18 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.65–1.72 Å. In the second Se site, Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two K and one Se atom. In the second O site, O is bonded in a 1-coordinate geometry to three K and one Se atom. In the third O site, O is bonded in a distorted single-bond geometry to two K and one Se atom. In the fourth O site, O is bonded in a 1-coordinate geometry to two K and one Se atom. In the fifth O site, O is bonded in a 1-coordinate geometry to three K and one Se atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two K and one Se atom. In the seventh O site, O is bonded in a distorted trigonal planar geometry to two K and one Se atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two K and one Se atom.