Materials Data on Pr5Pb4 by Materials Project
Pr5Pb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded to six Pb atoms to form a mixture of distorted corner, edge, and face-sharing PrPb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–41°. There are a spread of Pr–Pb bond distances ranging from 3.23–3.44 Å. In the second Pr site, Pr is bonded in a 7-coordinate geometry to seven Pb atoms. There are a spread of Pr–Pb bond distances ranging from 3.30–4.04 Å. In the third Pr site, Pr is bonded to six Pb atoms to form a mixture of corner and face-sharing PrPb6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°. There are a spread of Pr–Pb bond distances ranging from 3.26–3.43 Å. There are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to eight Pr and one Pb atom. The Pb–Pb bond length is 3.24 Å. In the second Pb site, Pb is bonded in a 7-coordinate geometry to eight Pr atoms. In the third Pb site, Pb is bonded in a 9-coordinate geometry to eight Pr and one Pb atom.