Materials Data on CsPb3 by Materials Project

CsPb3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve equivalent Pb atoms. There are six shorter (4.10 Å) and six longer (4.17 Å) Cs–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to four equivalent Cs and six equivalent Pb atoms. There are two shorter (3.21 Å) and four longer (3.43 Å) Pb–Pb bond lengths.