U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li10BrN3 by Materials Project
Abstract
Li10N3Br crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Li–N bond lengths are 1.98 Å. In the second Li1+ site, Li1+ is bonded in a 2-coordinate geometry to two equivalent N3- and two equivalent Br1- atoms. Both Li–N bond lengths are 2.09 Å. Both Li–Br bond lengths are 2.90 Å. In the third Li1+ site, Li1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Li–N bond lengths are 1.94 Å. In the fourth Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Li–N bond lengths are 2.04 Å. N3- is bonded to seven Li1+ atoms to form a mixture of corner and edge-sharing NLi7 pentagonal bipyramids. Br1- is bonded in a 6-coordinate geometry to six equivalent Li1+ atoms.
- Publication Date:
- Other Number(s):
- mp-28989
- 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; Br-Li-N; Li10BrN3; crystal structure
- OSTI Identifier:
- 1203042
- DOI:
- https://doi.org/10.17188/1203042
Citation Formats
Materials Data on Li10BrN3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203042.
Materials Data on Li10BrN3 by Materials Project. United States. doi:https://doi.org/10.17188/1203042
2020.
"Materials Data on Li10BrN3 by Materials Project". United States. doi:https://doi.org/10.17188/1203042. https://www.osti.gov/servlets/purl/1203042. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1203042,
title = {Materials Data on Li10BrN3 by Materials Project},
abstractNote = {Li10N3Br crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Li–N bond lengths are 1.98 Å. In the second Li1+ site, Li1+ is bonded in a 2-coordinate geometry to two equivalent N3- and two equivalent Br1- atoms. Both Li–N bond lengths are 2.09 Å. Both Li–Br bond lengths are 2.90 Å. In the third Li1+ site, Li1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Li–N bond lengths are 1.94 Å. In the fourth Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Li–N bond lengths are 2.04 Å. N3- is bonded to seven Li1+ atoms to form a mixture of corner and edge-sharing NLi7 pentagonal bipyramids. Br1- is bonded in a 6-coordinate geometry to six equivalent Li1+ atoms.},
doi = {10.17188/1203042},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}