Materials Data on Rh4Pb5 by Materials Project

Abstract

Rh4Pb5 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 10-coordinate geometry to four equivalent Rh and six Pb atoms. All Rh–Rh bond lengths are 2.89 Å. There are a spread of Rh–Pb bond distances ranging from 2.78–2.92 Å. In the second Rh site, Rh is bonded in a 10-coordinate geometry to two equivalent Rh and eight Pb atoms. Both Rh–Rh bond lengths are 2.92 Å. There are four shorter (2.82 Å) and four longer (3.06 Å) Rh–Pb bond lengths. In the third Rh site, Rh is bonded in a 10-coordinate geometry to four Rh and six Pb atoms. Both Rh–Rh bond lengths are 2.92 Å. There are a spread of Rh–Pb bond distances ranging from 2.79–2.90 Å. There are four inequivalent Pb sites. In the first Pb site, Pb is bonded in a 6-coordinate geometry to six Rh atoms. In the second Pb site, Pb is bonded in a 5-coordinate geometry to five Rh atoms. In the third Pb site, Pb is bonded to six Rh and one Pb atom to form corner-sharing PbRh6Pb hexagonal pyramids. The Pb–Pb bond length is 3.39 Å. In the fourth Pb site, Pb is bonded in a 5-coordinate geometry to four equivalent Rh and one Pb atom.