Materials Data on K2PuCl5 by Materials Project

Abstract

K2PuCl5 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 3.10–3.39 Å. Pu3+ is bonded to seven Cl1- atoms to form edge-sharing PuCl7 pentagonal bipyramids. There are a spread of Pu–Cl bond distances ranging from 2.73–2.83 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent K1+ and one Pu3+ atom to form distorted corner-sharing ClK4Pu trigonal bipyramids. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Pu3+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Pu3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Pu3+ atom.