10.17188/1203823
None Available
Materials Data on HfCl4 by Materials Project
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
2020
Specialized Mix
36 MATERIALS SCIENCE
crystal structure
HfCl4
Cl-Hf
The Materials Project
2020
en
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.