U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SiO2 by Materials Project
Abstract
SiO2 is quartz (alpha)-like structured and crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is one shorter (1.62 Å) and three longer (1.64 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is one shorter (1.62 Å) and three longer (1.63 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is one shorter (1.62 Å) and three longer (1.63 Å) Si–O bond length. In the fourth Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.61 Å) and two longer (1.63 Å) Si–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the third O2- site, O2- is bonded in a bentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1203655
- 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; SiO2; O-Si
- OSTI Identifier:
- 1730690
- DOI:
- https://doi.org/10.17188/1730690
Citation Formats
The Materials Project. Materials Data on SiO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1730690.
The Materials Project. Materials Data on SiO2 by Materials Project. United States. doi:https://doi.org/10.17188/1730690
The Materials Project. 2020.
"Materials Data on SiO2 by Materials Project". United States. doi:https://doi.org/10.17188/1730690. https://www.osti.gov/servlets/purl/1730690. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1730690,
title = {Materials Data on SiO2 by Materials Project},
author = {The Materials Project},
abstractNote = {SiO2 is quartz (alpha)-like structured and crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is one shorter (1.62 Å) and three longer (1.64 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is one shorter (1.62 Å) and three longer (1.63 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is one shorter (1.62 Å) and three longer (1.63 Å) Si–O bond length. In the fourth Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.61 Å) and two longer (1.63 Å) Si–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the seventh O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.},
doi = {10.17188/1730690},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
Works referenced in this record:
Sol-gel TiO2-SiO2 films as protective coatings against corrosion of 316L stainless steel in H2SO4 solutions
journal, February 1995
- Atik, M.; De Lima Neto, P.; Aegerter, M. A.
- Journal of Applied Electrochemistry, Vol. 25, Issue 2
A study on environmental stress cracking in nano-SiO2-filled polycarbonate
journal, June 2012
- Lin, Leyu; Schlarb, Alois K.
- Journal of Materials Science, Vol. 47, Issue 18