Materials Data on HfBrN by Materials Project
HfNBr crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three HfNBr sheets oriented in the (0, 0, 1) direction. Hf4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent Br1- atoms. There are three shorter (2.14 Å) and one longer (2.16 Å) Hf–N bond lengths. All Hf–Br bond lengths are 2.89 Å. N3- is bonded to four equivalent Hf4+ atoms to form a mixture of corner and edge-sharing NHf4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Hf4+ 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:
- 1204725
- Report Number(s):
- mp-30302
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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