Materials Data on Li10Pb3 by Materials Project

Abstract

Li10Pb3 crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are seven inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to three equivalent Pb atoms. All Li–Pb bond lengths are 2.99 Å. In the second Li site, Li is bonded in a distorted q6 geometry to twelve Li atoms. There are a spread of Li–Li bond distances ranging from 2.97–3.10 Å. In the third Li site, Li is bonded in a distorted trigonal planar geometry to three equivalent Pb atoms. All Li–Pb bond lengths are 2.87 Å. In the fourth Li site, Li is bonded in a 3-coordinate geometry to three equivalent Li and three equivalent Pb atoms. All Li–Pb bond lengths are 2.88 Å. In the fifth Li site, Li is bonded in a 4-coordinate geometry to four equivalent Pb atoms. All Li–Pb bond lengths are 3.21 Å. In the sixth Li site, Li is bonded in a 2-coordinate geometry to two equivalent Li and four equivalent Pb atoms. There are two shorter (2.88 Å) and two longer (3.20 Å) Li–Pb bond lengths. In the seventh Li site, Li is bonded in a 4-coordinate geometry to one Li and four equivalent Pb atoms. There are two shorter (2.99 Å) and two longer (3.02 Å) Li–Pb bond lengths. Pb is bonded in a 11-coordinate geometry to eleven Li atoms.