U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Si3N4 by Materials Project
Abstract
Si3N4 crystallizes in the trigonal P31c space group. The structure is three-dimensional. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.74–1.76 Å. In the second Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.73–1.75 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ atoms. In the third N3- site, N3- is bonded in a trigonal planar geometry to three equivalent Si4+ atoms. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to three equivalent Si4+ atoms.
- Publication Date:
- Other Number(s):
- mp-2245
- 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; N-Si; Si3N4; crystal structure
- OSTI Identifier:
- 1197656
- DOI:
- https://doi.org/10.17188/1197656
Citation Formats
Materials Data on Si3N4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197656.
Materials Data on Si3N4 by Materials Project. United States. doi:https://doi.org/10.17188/1197656
2020.
"Materials Data on Si3N4 by Materials Project". United States. doi:https://doi.org/10.17188/1197656. https://www.osti.gov/servlets/purl/1197656. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1197656,
title = {Materials Data on Si3N4 by Materials Project},
abstractNote = {Si3N4 crystallizes in the trigonal P31c space group. The structure is three-dimensional. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.74–1.76 Å. In the second Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.73–1.75 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ atoms. In the third N3- site, N3- is bonded in a trigonal planar geometry to three equivalent Si4+ atoms. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to three equivalent Si4+ atoms.},
doi = {10.17188/1197656},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}