Materials Data on K2UCl5 by Materials Project

Abstract

K2UCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.22–3.41 Å. U3+ is bonded to seven Cl1- atoms to form distorted edge-sharing UCl7 pentagonal bipyramids. There are two shorter (2.79 Å) and five longer (2.85 Å) U–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent U3+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one U3+ atom. In the third Cl1- site, Cl1- is bonded to four equivalent K1+ and one U3+ atom to form a mixture of distorted corner, edge, and face-sharing ClK4U trigonal bipyramids. In the fourth Cl1- site, Cl1- is bonded to four equivalent K1+ and one U3+ atom to form a mixture of distorted corner, edge, and face-sharing ClK4U trigonal bipyramids.