Materials Data on K2PbCl5 by Materials Project

Abstract

K2PbCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight Cl atoms. There are a spread of K–Cl bond distances ranging from 3.18–3.44 Å. Pb is bonded to seven Cl atoms to form distorted edge-sharing PbCl7 pentagonal bipyramids. There are a spread of Pb–Cl bond distances ranging from 2.76–2.89 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded to four equivalent K and one Pb atom to form ClK4Pb trigonal bipyramids that share corners with nine ClK4Pb trigonal bipyramids, corners with eight equivalent ClK2Pb2 trigonal pyramids, edges with five ClK4Pb trigonal bipyramids, edges with two equivalent ClK2Pb2 trigonal pyramids, and a faceface with one ClK4Pb trigonal bipyramid. In the second Cl site, Cl is bonded to two equivalent K and two equivalent Pb atoms to form ClK2Pb2 trigonal pyramids that share corners with eight ClK4Pb trigonal bipyramids, corners with six equivalent ClK2Pb2 trigonal pyramids, edges with five ClK4Pb trigonal bipyramids, and an edgeedge with one ClK2Pb2 trigonal pyramid. In the third Cl site, Cl is bonded to four equivalent K and one Pb atom to form ClK4Pb trigonal bipyramids that share corners with nine ClK4Pb trigonal bipyramids, corners with four equivalent ClK2Pb2 trigonal pyramids, edges with five ClK4Pb trigonal bipyramids, edges with four equivalent ClK2Pb2 trigonal pyramids, and a faceface with one ClK4Pb trigonal bipyramid. In the fourth Cl site, Cl is bonded to four equivalent K and one Pb atom to form distorted ClK4Pb trigonal bipyramids that share corners with ten ClK4Pb trigonal bipyramids, corners with four equivalent ClK2Pb2 trigonal pyramids, edges with six ClK4Pb trigonal bipyramids, and edges with four equivalent ClK2Pb2 trigonal pyramids.