Materials Data on HfFeCl6 by Materials Project
HfFeCl6 is Aluminum trichloride-derived structured and crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two HfFeCl6 sheets oriented in the (0, 0, 1) direction. Hf4+ is bonded to six equivalent Cl1- atoms to form HfCl6 octahedra that share edges with three equivalent FeCl6 octahedra. All Hf–Cl bond lengths are 2.47 Å. Fe2+ is bonded to six equivalent Cl1- atoms to form FeCl6 octahedra that share edges with three equivalent HfCl6 octahedra. All Fe–Cl bond lengths are 2.49 Å. Cl1- is bonded in an L-shaped geometry to one Hf4+ and one Fe2+ atom.
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