Materials Data on K(USe3)2 by Materials Project

Abstract

K(USe3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a distorted body-centered cubic geometry to eight Se2- atoms. There are four shorter (3.42 Å) and four longer (3.44 Å) K–Se bond lengths. U+5.50+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.88–2.95 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four equivalent U+5.50+ atoms to form a mixture of distorted edge and corner-sharing SeU4 trigonal pyramids. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent U+5.50+ atoms. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent U+5.50+ atoms.