ZnPb2F6 crystallizes in the tetragonal P4_2/ncm space group. Zn(1) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form corner-sharing ZnF6 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. Pb(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms. There are five inequivalent F sites. In the first F site, F(5) is bonded in a linear geometry to two equivalent Zn(1) atoms. In the second F site, F(1) is bonded to four equivalent Pb(1) atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra. In the third F site, F(2) is bonded to four equivalent Pb(1) atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra. In the fourth F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Zn(1) atoms. In the fifth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1) and two equivalent Pb(1) atoms.
ZnPb2F6 crystallizes in the tetragonal P4_2/ncm space group. Zn(1) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form corner-sharing ZnF6 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. Both Zn(1)-F(3) bond lengths are 2.07 Å. Both Zn(1)-F(4) bond lengths are 1.99 Å. Both Zn(1)-F(5) bond lengths are 2.00 Å. Pb(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms. There is one shorter (2.48 Å) and one longer (2.52 Å) Pb(1)-F(1) bond length. Both Pb(1)-F(2) bond lengths are 2.50 Å. Both Pb(1)-F(4) bond lengths are 2.54 Å. There are five inequivalent F sites. In the first F site, F(5) is bonded in a linear geometry to two equivalent Zn(1) atoms. In the second F site, F(1) is bonded to four equivalent Pb(1) atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra. In the third F site, F(2) is bonded to four equivalent Pb(1) atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra. In the fourth F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Zn(1) atoms. In the fifth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1) and two equivalent Pb(1) atoms.