U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrBN2 by Materials Project
Abstract
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.
- Publication Date:
- Other Number(s):
- mp-9028
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; B-N-Pr; PrBN2; crystal structure
- OSTI Identifier:
- 1312927
- DOI:
- https://doi.org/10.17188/1312927
Citation Formats
Materials Data on PrBN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312927.
Materials Data on PrBN2 by Materials Project. United States. doi:https://doi.org/10.17188/1312927
2020.
"Materials Data on PrBN2 by Materials Project". United States. doi:https://doi.org/10.17188/1312927. https://www.osti.gov/servlets/purl/1312927. Pub date:Sat Jul 18 04:00:00 UTC 2020
@article{osti_1312927,
title = {Materials Data on PrBN2 by Materials Project},
abstractNote = {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.},
doi = {10.17188/1312927},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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