Materials Data on K2UI5 by Materials Project

Abstract

K2UI5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.63–3.99 Å. U3+ is bonded to seven I1- atoms to form distorted edge-sharing UI7 pentagonal bipyramids. There are a spread of U–I bond distances ranging from 3.18–3.29 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent U3+ atoms. In the second I1- site, I1- is bonded to four equivalent K1+ and one U3+ atom to form a mixture of distorted corner, edge, and face-sharing IK4U trigonal bipyramids. In the third I1- site, I1- is bonded to four equivalent K1+ and one U3+ atom to form a mixture of distorted corner, edge, and face-sharing IK4U trigonal bipyramids. In the fourth I1- site, I1- is bonded to four equivalent K1+ and one U3+ atom to form a mixture of distorted corner and edge-sharing IK4U trigonal bipyramids.