Materials Data on GaBPbO4 by Materials Project
PbGaBO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ga3+ is bonded to six O2- atoms to form edge-sharing GaO6 octahedra. There are a spread of Ga–O bond distances ranging from 1.91–2.12 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.39 Å. Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ga3+ and one B3+ atom. In the second O2- site, O2- is bonded to two equivalent Ga3+ and two equivalent Pb2+ atoms to form distorted corner-sharing OGa2Pb2 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ga3+, one B3+, and one Pb2+ atom.