Materials Data on ZrBrN by Materials Project
ZrNBr crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two ZrNBr sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent N3- and three equivalent Br1- atoms. All Zr–N bond lengths are 2.10 Å. All Zr–Br bond lengths are 2.87 Å. N3- is bonded in a trigonal non-coplanar geometry to three equivalent Zr4+ atoms. Br1- 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:
- 1652261
- Report Number(s):
- mp-1172825
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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