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 trigonal non-coplanar geometry to three N3- atoms. There is one shorter (1.75 Å) and two longer (1.76 Å) Si–N bond length. In the second Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There is one shorter (1.73 Å) and three longer (1.75 Å) Si–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ and two equivalent N3- atoms. There are one shorter (2.57 Å) and one longer (3.15 Å) N–N bond lengths. In the second N3- site, N3- is bonded in a trigonal planar geometry to three equivalent Si4+ atoms. In the third N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ and one N3- atom. The N–N bond length is 2.83 Å. In the fourth N3- site, N3- is bonded in a 3-coordinate geometry to nine N3- atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-603694
- 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:
- 1277366
- DOI:
- https://doi.org/10.17188/1277366
Citation Formats
The Materials Project. Materials Data on Si3N4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1277366.
The Materials Project. Materials Data on Si3N4 by Materials Project. United States. doi:https://doi.org/10.17188/1277366
The Materials Project. 2020.
"Materials Data on Si3N4 by Materials Project". United States. doi:https://doi.org/10.17188/1277366. https://www.osti.gov/servlets/purl/1277366. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1277366,
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 trigonal non-coplanar geometry to three N3- atoms. There is one shorter (1.75 Å) and two longer (1.76 Å) Si–N bond length. In the second Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There is one shorter (1.73 Å) and three longer (1.75 Å) Si–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ and two equivalent N3- atoms. There are one shorter (2.57 Å) and one longer (3.15 Å) N–N bond lengths. In the second N3- site, N3- is bonded in a trigonal planar geometry to three equivalent Si4+ atoms. In the third N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ and one N3- atom. The N–N bond length is 2.83 Å. In the fourth N3- site, N3- is bonded in a 3-coordinate geometry to nine N3- atoms.},
doi = {10.17188/1277366},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}