Materials Data on SmBN2 by Materials Project
SmBN2 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Sm3+ is bonded to seven N3- atoms to form a mixture of distorted edge, face, and corner-sharing SmN7 pentagonal bipyramids. There are a spread of Sm–N bond distances ranging from 2.47–2.64 Å. B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.47 Å) and one longer (1.48 Å) B–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two equivalent Sm3+ and two equivalent B3+ atoms. In the second N3- site, N3- is bonded in a distorted single-bond geometry to five equivalent Sm3+ and one B3+ atom.
- 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:
- 1709744
- Report Number(s):
- mp-1192040
- Country of Publication:
- United States
- Language:
- English
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