Materials Data on LiYbPb by Materials Project
LiYbPb crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to three equivalent Yb and four Pb atoms. All Li–Yb bond lengths are 3.23 Å. There are three shorter (2.90 Å) and one longer (3.32 Å) Li–Pb bond lengths. In the second Li site, Li is bonded in a trigonal planar geometry to six equivalent Yb and three equivalent Pb atoms. All Li–Yb bond lengths are 3.39 Å. All Li–Pb bond lengths are 2.86 Å. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to six Li and six Pb atoms. There are three shorter (3.39 Å) and three longer (3.46 Å) Yb–Pb bond lengths. In the second Yb site, Yb is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Yb–Pb bond lengths are 3.32 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 3-coordinate geometry to three equivalent Li and six Yb atoms. In the second Pb site, Pb is bonded in a 3-coordinate geometry to five Li and six equivalent Yb atoms.