Materials Data on Hf2SeN2 by Materials Project
Hf2N2Se crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Hf4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent Se2- atoms. There are three shorter (2.13 Å) and one longer (2.17 Å) Hf–N bond lengths. All Hf–Se bond lengths are 2.92 Å. N3- is bonded to four equivalent Hf4+ atoms to form a mixture of distorted corner and edge-sharing NHf4 tetrahedra. Se2- is bonded in a 6-coordinate geometry to six equivalent Hf4+ atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1672017
- Report Number(s):
- mp-1029330
- Country of Publication:
- United States
- Language:
- English
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