Materials Data on Rb2UI5 by Materials Project

Abstract

Rb2UI5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.72–3.98 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 3.19–3.25 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded to four equivalent Rb1+ and one U3+ atom to form a mixture of distorted edge, face, and corner-sharing IRb4U trigonal bipyramids. In the second I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one U3+ atom. In the third I1- site, I1- is bonded to four equivalent Rb1+ and one U3+ atom to form a mixture of distorted edge, face, and corner-sharing IRb4U trigonal bipyramids. In the fourth I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent U3+ atoms.