DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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 = {2020},
month = {7}
}