U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na3BO3 by Materials Project
Abstract
Na3BO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form distorted edge-sharing NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.29–2.52 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.98 Å. In the third Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.52 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Na1+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Na1+ and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five Na1+ and one B3+ atom.
- Publication Date:
- Other Number(s):
- mp-30975
- 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-Na-O; Na3BO3; crystal structure
- OSTI Identifier:
- 1205311
- DOI:
- https://doi.org/10.17188/1205311
Citation Formats
Materials Data on Na3BO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205311.
Materials Data on Na3BO3 by Materials Project. United States. doi:https://doi.org/10.17188/1205311
2020.
"Materials Data on Na3BO3 by Materials Project". United States. doi:https://doi.org/10.17188/1205311. https://www.osti.gov/servlets/purl/1205311. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1205311,
title = {Materials Data on Na3BO3 by Materials Project},
abstractNote = {Na3BO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form distorted edge-sharing NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.29–2.52 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.98 Å. In the third Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.52 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Na1+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Na1+ and one B3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five Na1+ and one B3+ atom.},
doi = {10.17188/1205311},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}