Materials Data on HfCl4 by Materials Project
HfCl4 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of one HfCl4 ribbon oriented in the (1, 0, 0) direction. Hf4+ is bonded to six Cl1- atoms to form edge-sharing HfCl6 octahedra. There are a spread of Hf–Cl bond distances ranging from 2.32–2.66 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Hf4+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Hf4+ atom.
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