PbZrF6 crystallizes in the orthorhombic Cmme space group. Zr(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. Pb(1) is bonded in a distorted pentagonal pyramidal geometry to two equivalent F(2) and four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Zr(1) and one Pb(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Zr(1) and one Pb(1) atom.
PbZrF6 crystallizes in the orthorhombic Cmme space group. Zr(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. All Zr(1)-F(1) bond lengths are 2.04 Å. All Zr(1)-F(2) bond lengths are 2.21 Å. Pb(1) is bonded in a distorted pentagonal pyramidal geometry to two equivalent F(2) and four equivalent F(1) atoms. Both Pb(1)-F(2) bond lengths are 2.59 Å. All Pb(1)-F(1) bond lengths are 2.45 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Zr(1) and one Pb(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Zr(1) and one Pb(1) atom.