Materials Data on Rb3Pb4Au by Materials Project

Abstract

Rb3AuPb4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to two equivalent Rb, two equivalent Au, and eight Pb atoms. Both Rb–Rb bond lengths are 4.08 Å. Both Rb–Au bond lengths are 3.85 Å. There are a spread of Rb–Pb bond distances ranging from 3.72–4.27 Å. In the second Rb site, Rb is bonded in a 6-coordinate geometry to one Rb and three Pb atoms. There are one shorter (3.63 Å) and two longer (3.77 Å) Rb–Pb bond lengths. Au is bonded in a 6-coordinate geometry to two equivalent Rb and four Pb atoms. There are two shorter (2.91 Å) and two longer (2.93 Å) Au–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 4-coordinate geometry to four Rb and one Au atom. In the second Pb site, Pb is bonded in a 2-coordinate geometry to three Rb and one Au atom.