U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaSr4(BN2)3 by Materials Project
Abstract
NaSr4(BN2)3 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent N3- atoms to form NaN6 octahedra that share faces with eight equivalent SrN6 octahedra. All Na–N bond lengths are 2.45 Å. Sr2+ is bonded to six equivalent N3- atoms to form distorted SrN6 octahedra that share corners with six equivalent SrN6 octahedra, edges with six equivalent SrN6 octahedra, and faces with two equivalent NaN6 octahedra. The corner-sharing octahedral tilt angles are 23°. All Sr–N bond lengths are 2.74 Å. B3+ is bonded in a linear geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.35 Å. N3- is bonded in a 1-coordinate geometry to one Na1+, four equivalent Sr2+, and one B3+ atom.
- Publication Date:
- Other Number(s):
- mp-10811
- 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-Na-Sr; NaSr4(BN2)3; crystal structure
- OSTI Identifier:
- 1187377
- DOI:
- https://doi.org/10.17188/1187377
Citation Formats
Materials Data on NaSr4(BN2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187377.
Materials Data on NaSr4(BN2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1187377
2020.
"Materials Data on NaSr4(BN2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1187377. https://www.osti.gov/servlets/purl/1187377. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1187377,
title = {Materials Data on NaSr4(BN2)3 by Materials Project},
abstractNote = {NaSr4(BN2)3 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent N3- atoms to form NaN6 octahedra that share faces with eight equivalent SrN6 octahedra. All Na–N bond lengths are 2.45 Å. Sr2+ is bonded to six equivalent N3- atoms to form distorted SrN6 octahedra that share corners with six equivalent SrN6 octahedra, edges with six equivalent SrN6 octahedra, and faces with two equivalent NaN6 octahedra. The corner-sharing octahedral tilt angles are 23°. All Sr–N bond lengths are 2.74 Å. B3+ is bonded in a linear geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.35 Å. N3- is bonded in a 1-coordinate geometry to one Na1+, four equivalent Sr2+, and one B3+ atom.},
doi = {10.17188/1187377},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 04:00:00 UTC 2020},
month = {Thu Jul 16 04:00:00 UTC 2020}
}