Materials Data on ZrFeCl6 by Materials Project
ZrFeCl6 is Aluminum trichloride-derived structured and crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two ZrFeCl6 sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded to six equivalent Cl1- atoms to form ZrCl6 octahedra that share edges with three equivalent FeCl6 octahedra. All Zr–Cl bond lengths are 2.50 Å. Fe2+ is bonded to six equivalent Cl1- atoms to form FeCl6 octahedra that share edges with three equivalent ZrCl6 octahedra. All Fe–Cl bond lengths are 2.48 Å. Cl1- is bonded in an L-shaped geometry to one Zr4+ and one Fe2+ atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1202339
- Report Number(s):
- mp-28208
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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