Materials Data on ZrCl2 by Materials Project
ZrCl2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Zr2+ is bonded to five Cl1- atoms to form a mixture of edge and corner-sharing ZrCl5 square pyramids. There are a spread of Zr–Cl bond distances ranging from 2.53–2.90 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Zr2+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Zr2+ atoms.
- 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:
- 1276309
- Report Number(s):
- mp-571537
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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