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 in a distorted see-saw-like geometry to four N3- atoms. There are a spread of Si–N bond distances ranging from 1.79–2.12 Å. In the second Si4+ site, Si4+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing SiN5 trigonal bipyramids. There are a spread of Si–N bond distances ranging from 1.77–1.94 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to three Si4+ atoms. In the second N3- site, N3- is bonded to four Si4+ atoms to form distorted corner-sharing NSi4 trigonal pyramids. In the third N3- site, N3- is bonded in a 4-coordinate geometry to three equivalent Si4+ and one N3- atom. The N–N bond length is 1.27 Å. In the fourth N3- site, N3- is bonded in a 4-coordinate geometry to three equivalent Si4+ and one N3- atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-568867
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Si3N4; N-Si
- OSTI Identifier:
- 1274784
- DOI:
- https://doi.org/10.17188/1274784
Citation Formats
The Materials Project. Materials Data on Si3N4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274784.
The Materials Project. Materials Data on Si3N4 by Materials Project. United States. doi:https://doi.org/10.17188/1274784
The Materials Project. 2020.
"Materials Data on Si3N4 by Materials Project". United States. doi:https://doi.org/10.17188/1274784. https://www.osti.gov/servlets/purl/1274784. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1274784,
title = {Materials Data on Si3N4 by Materials Project},
author = {The 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 in a distorted see-saw-like geometry to four N3- atoms. There are a spread of Si–N bond distances ranging from 1.79–2.12 Å. In the second Si4+ site, Si4+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing SiN5 trigonal bipyramids. There are a spread of Si–N bond distances ranging from 1.77–1.94 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to three Si4+ atoms. In the second N3- site, N3- is bonded to four Si4+ atoms to form distorted corner-sharing NSi4 trigonal pyramids. In the third N3- site, N3- is bonded in a 4-coordinate geometry to three equivalent Si4+ and one N3- atom. The N–N bond length is 1.27 Å. In the fourth N3- site, N3- is bonded in a 4-coordinate geometry to three equivalent Si4+ and one N3- atom.},
doi = {10.17188/1274784},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}