Materials Data on Ba3Pb5 by Materials Project
Ba3Pb5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 9-coordinate geometry to nine Pb atoms. There are a spread of Ba–Pb bond distances ranging from 3.57–3.97 Å. In the second Ba site, Ba is bonded in a 10-coordinate geometry to ten Pb atoms. There are a spread of Ba–Pb bond distances ranging from 3.67–3.92 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to six Ba and three Pb atoms. All Pb–Pb bond lengths are 3.23 Å. In the second Pb site, Pb is bonded in a 6-coordinate geometry to six Ba and three Pb atoms. The Pb–Pb bond length is 3.35 Å. In the third Pb site, Pb is bonded in a 5-coordinate geometry to five Ba and four Pb atoms.