Materials Data on HfTlF5 by Materials Project
HfTlF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Hf4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Hf–F bond distances ranging from 2.01–2.25 Å. Tl1+ is bonded in a 4-coordinate geometry to eight F1- atoms. There are a spread of Tl–F bond distances ranging from 2.76–3.40 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Hf4+ and three equivalent Tl1+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Hf4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Hf4+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Hf4+ and one Tl1+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Hf4+ and four equivalent Tl1+ atoms.