Materials Data on BiPbO2F by Materials Project
BiPbO2F crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one BiPbO2F sheet oriented in the (0, 0, 1) direction. Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.37–2.43 Å. Bi3+ is bonded in a 7-coordinate geometry to four O2- and three equivalent F1- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.40 Å. There are a spread of Bi–F bond distances ranging from 2.61–2.65 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Pb2+ and three equivalent Bi3+ atoms to form distorted OBi3Pb tetrahedra that share corners with six equivalent OBi3Pb tetrahedra and edges with three equivalent OBiPb3 tetrahedra. In the second O2- site, O2- is bonded to three equivalent Pb2+ and one Bi3+ atom to form OBiPb3 tetrahedra that share corners with six equivalent OBiPb3 tetrahedra and edges with three equivalent OBi3Pb tetrahedra. F1- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms.