U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Si3N4 by Materials Project
Abstract
Si3N4 crystallizes in the hexagonal P6_3/m space group. The structure is one-dimensional and consists of one Si3N4 ribbon oriented in the (0, 0, 1) direction. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing SiN4 trigonal pyramids. There are a spread of Si–N bond distances ranging from 1.69–1.89 Å. In the second Si4+ site, Si4+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing SiN4 trigonal pyramids. There are a spread of Si–N bond distances ranging from 1.69–1.79 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in an L-shaped geometry to two equivalent Si4+ atoms. In the second N3- site, N3- is bonded in a rectangular see-saw-like geometry to four Si4+ atoms. In the third N3- site, N3- is bonded in a distorted trigonal planar geometry to three Si4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-583712
- 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:
- 1277074
- DOI:
- https://doi.org/10.17188/1277074
Citation Formats
The Materials Project. Materials Data on Si3N4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1277074.
The Materials Project. Materials Data on Si3N4 by Materials Project. United States. doi:https://doi.org/10.17188/1277074
The Materials Project. 2020.
"Materials Data on Si3N4 by Materials Project". United States. doi:https://doi.org/10.17188/1277074. https://www.osti.gov/servlets/purl/1277074. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1277074,
title = {Materials Data on Si3N4 by Materials Project},
author = {The Materials Project},
abstractNote = {Si3N4 crystallizes in the hexagonal P6_3/m space group. The structure is one-dimensional and consists of one Si3N4 ribbon oriented in the (0, 0, 1) direction. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing SiN4 trigonal pyramids. There are a spread of Si–N bond distances ranging from 1.69–1.89 Å. In the second Si4+ site, Si4+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing SiN4 trigonal pyramids. There are a spread of Si–N bond distances ranging from 1.69–1.79 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in an L-shaped geometry to two equivalent Si4+ atoms. In the second N3- site, N3- is bonded in a rectangular see-saw-like geometry to four Si4+ atoms. In the third N3- site, N3- is bonded in a distorted trigonal planar geometry to three Si4+ atoms.},
doi = {10.17188/1277074},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}