Materials Data on Ge3Pb5O12 by Materials Project

Abstract

Pb5Ge3O12 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Pb+2.40+ sites. In the first Pb+2.40+ site, Pb+2.40+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.43 Å) and three longer (2.73 Å) Pb–O bond lengths. In the second Pb+2.40+ site, Pb+2.40+ is bonded in a 6-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.26–2.54 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.78 Å) and one longer (1.80 Å) Ge–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pb+2.40+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb+2.40+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Pb+2.40+ and one Ge4+ atom.