Materials Data on PrBN2 by Materials Project
PrBN2 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Pr3+ is bonded to seven N3- atoms to form a mixture of distorted edge, corner, and face-sharing PrN7 pentagonal bipyramids. There are a spread of Pr–N bond distances ranging from 2.54–2.71 Å. B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.47 Å) and one longer (1.49 Å) B–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to five equivalent Pr3+ and one B3+ atom. In the second N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two equivalent Pr3+ and two equivalent B3+ 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:
- 1312927
- Report Number(s):
- mp-9028
- Country of Publication:
- United States
- Language:
- English
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