Materials Data on Si3N4 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1274784
- Report Number(s):
- mp-568867
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Si3N4 by Materials Project
Materials Data on Si2N2O by Materials Project