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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 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; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Si3N4; N-Si
OSTI Identifier:
1197656
DOI:
https://doi.org/10.17188/1197656

Citation Formats

The Materials Project. Materials Data on Si3N4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197656.
The Materials Project. Materials Data on Si3N4 by Materials Project. United States. doi:https://doi.org/10.17188/1197656
The Materials Project. 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},
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 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}
}