Materials Data on ZrNCl by Materials Project
ZrNCl crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two ZrNCl sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 3-coordinate geometry to three equivalent N3- and three equivalent Cl1- atoms. All Zr–N bond lengths are 2.09 Å. All Zr–Cl bond lengths are 2.74 Å. N3- is bonded in a trigonal non-coplanar geometry to three equivalent Zr4+ atoms. Cl1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ 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:
- 1279329
- Report Number(s):
- mp-632657
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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