U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SiO2 by Materials Project
Abstract
SiO2 crystallizes in the orthorhombic Imm2 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 a mixture of edge and corner-sharing SiO4 tetrahedra. There is two shorter (1.65 Å) and two longer (1.67 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 two shorter (1.64 Å) and two longer (1.65 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 two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. In the fourth Si4+ site, Si4+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.65–1.68 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. The O–Si bond length is 1.65 Å. Inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-555394
- 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:
- 1268782
- DOI:
- https://doi.org/10.17188/1268782
Citation Formats
The Materials Project. Materials Data on SiO2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1268782.
The Materials Project. Materials Data on SiO2 by Materials Project. United States. doi:https://doi.org/10.17188/1268782
The Materials Project. 2019.
"Materials Data on SiO2 by Materials Project". United States. doi:https://doi.org/10.17188/1268782. https://www.osti.gov/servlets/purl/1268782. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1268782,
title = {Materials Data on SiO2 by Materials Project},
author = {The Materials Project},
abstractNote = {SiO2 crystallizes in the orthorhombic Imm2 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 a mixture of edge and corner-sharing SiO4 tetrahedra. There is two shorter (1.65 Å) and two longer (1.67 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 two shorter (1.64 Å) and two longer (1.65 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 two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. In the fourth Si4+ site, Si4+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.65–1.68 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. The O–Si bond length is 1.65 Å. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. The O–Si bond length is 1.65 Å. In the fourth O2- site, O2- is bonded in an L-shaped geometry to two Si4+ atoms. The O–Si bond length is 1.67 Å. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the sixth O2- site, O2- is bonded in an L-shaped geometry to two Si4+ atoms. The O–Si bond length is 1.67 Å. In the seventh O2- site, O2- is bonded in an L-shaped geometry to two Si4+ atoms. The O–Si bond length is 1.67 Å. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the eleventh O2- site, O2- is bonded in an L-shaped geometry to two Si4+ atoms. The O–Si bond length is 1.68 Å. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms.},
doi = {10.17188/1268782},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}