HfTlF5 crystallizes in the monoclinic P2_1/c space group. Hf(1) is bonded in a 8-coordinate geometry to one F(1), one F(5), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. Tl(1) is bonded in a distorted water-like geometry to one F(1) and one F(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Hf(1) and one Tl(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Hf(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Hf(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to two equivalent Hf(1) and one Tl(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Hf(1) atom.
HfTlF5 crystallizes in the monoclinic P2_1/c space group. Hf(1) is bonded in a 8-coordinate geometry to one F(1), one F(5), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. The Hf(1)-F(1) bond length is 2.01 Å. The Hf(1)-F(5) bond length is 2.00 Å. There is one shorter (2.04 Å) and one longer (2.17 Å) Hf(1)-F(2) bond length. There is one shorter (2.04 Å) and one longer (2.17 Å) Hf(1)-F(3) bond length. There is one shorter (2.14 Å) and one longer (2.17 Å) Hf(1)-F(4) bond length. Tl(1) is bonded in a distorted water-like geometry to one F(1) and one F(4) atom. The Tl(1)-F(1) bond length is 2.76 Å. The Tl(1)-F(4) bond length is 2.67 Å. There are five inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Hf(1) and one Tl(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Hf(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Hf(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to two equivalent Hf(1) and one Tl(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Hf(1) atom.