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Materials Data on Zr3Pb(O2F3)2 by Materials Project

Zr3Pb(O2F3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent F1- atoms. All Zr–O bond lengths are 2.17 Å. All Zr–F bond lengths are 2.21 Å. Pb2+ is bonded in a distorted tetrahedral geometry to four equivalent O2- atoms. All Pb–O bond lengths are 2.58 Å. O2- is bonded to three equivalent Zr4+ and one Pb2+ atom to form a mixture of distorted edge and corner-sharing OZr3Pb tetrahedra. F1- is bonded in a bent 150 degrees geometry to two equivalent Zr4+ atoms.

36 MATERIALS SCIENCE↗