Materials Data on Zn2B2PbO6 by Materials Project

Abstract

Zn2B2PbO6 crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. Zn2+ is bonded to four O2- atoms to form corner-sharing ZnO4 tetrahedra. There is three shorter (1.97 Å) and one longer (2.00 Å) Zn–O bond length. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. Pb2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.32 Å) and two longer (2.56 Å) Pb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Zn2+, one B3+, and one Pb2+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Zn2+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+, one B3+, and one Pb2+ atom.