Pb2OF2 crystallizes in the tetragonal P-4m2 space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one O(1), one O(3), two equivalent F(1), and two equivalent F(2) atoms to form a mixture of distorted corner and edge-sharing PbO2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-76°. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent F(1), and two equivalent F(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Pb(1) atoms to form OPb4 tetrahedra that share corners with four equivalent O(3)Pb4 tetrahedra and edges with four equivalent F(1)Pb4 tetrahedra. In the second O site, O(2) is bonded to four equivalent Pb(2) atoms to form distorted OPb4 tetrahedra that share corners with four equivalent O(3)Pb4 tetrahedra and corners with eight equivalent F(1)Pb4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Pb(1) and two equivalent Pb(2) atoms to form OPb4 tetrahedra that share corners with two equivalent O(1)Pb4 tetrahedra, corners with two equivalent O(2)Pb4 tetrahedra, and corners with eight equivalent F(1)Pb4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Pb(1) and two equivalent Pb(2) atoms to form FPb4 tetrahedra that share corners with two equivalent O(2)Pb4 tetrahedra, corners with four equivalent O(3)Pb4 tetrahedra, corners with four equivalent F(1)Pb4 tetrahedra, and  an edgeedge with one O(1)Pb4 tetrahedra. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Pb(1) and two equivalent Pb(2) atoms.
Pb2OF2 crystallizes in the tetragonal P-4m2 space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one O(1), one O(3), two equivalent F(1), and two equivalent F(2) atoms to form a mixture of distorted corner and edge-sharing PbO2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-76°. The Pb(1)-O(1) bond length is 2.47 Å. The Pb(1)-O(3) bond length is 2.57 Å. Both Pb(1)-F(1) bond lengths are 2.60 Å. Both Pb(1)-F(2) bond lengths are 2.48 Å. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent F(1), and two equivalent F(2) atoms. The Pb(2)-O(2) bond length is 2.45 Å. The Pb(2)-O(3) bond length is 2.34 Å. Both Pb(2)-F(1) bond lengths are 2.64 Å. Both Pb(2)-F(2) bond lengths are 2.70 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Pb(1) atoms to form OPb4 tetrahedra that share corners with four equivalent O(3)Pb4 tetrahedra and edges with four equivalent F(1)Pb4 tetrahedra. In the second O site, O(2) is bonded to four equivalent Pb(2) atoms to form distorted OPb4 tetrahedra that share corners with four equivalent O(3)Pb4 tetrahedra and corners with eight equivalent F(1)Pb4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Pb(1) and two equivalent Pb(2) atoms to form OPb4 tetrahedra that share corners with two equivalent O(1)Pb4 tetrahedra, corners with two equivalent O(2)Pb4 tetrahedra, and corners with eight equivalent F(1)Pb4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Pb(1) and two equivalent Pb(2) atoms to form FPb4 tetrahedra that share corners with two equivalent O(2)Pb4 tetrahedra, corners with four equivalent O(3)Pb4 tetrahedra, corners with four equivalent F(1)Pb4 tetrahedra, and  an edgeedge with one O(1)Pb4 tetrahedra. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Pb(1) and two equivalent Pb(2) atoms.