Materials Data on KUHSeO7 by Materials Project

Abstract

KUHSeO7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.43 Å. U6+ is bonded in a 6-coordinate geometry to one H1+ and six O2- atoms. The U–H bond length is 2.77 Å. There are a spread of U–O bond distances ranging from 1.82–2.41 Å. H1+ is bonded in a distorted single-bond geometry to one U6+ atom. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.64–1.71 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent U6+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one U6+, and one Se6+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Se6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one U6+ atom.