U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SiO4 by Materials Project
Abstract
SiO4 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one SiO4 ribbon oriented in the (1, 0, 0) direction. there are three inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Si–O bond distances ranging from 1.55–2.16 Å. In the second Si site, Si is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Si–O bond distances ranging from 1.39–1.99 Å. In the third Si site, Si is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Si–O bond distances ranging from 1.50–2.15 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Si and one O atom. The O–O bond length is 1.53 Å. In the second O site, O is bonded in a 3-coordinate geometry to one Si and two O atoms. There is one shorter (1.21 Å) and one longer (1.66 Å) O–O bond length. In the third O site, O is bonded in a water-like geometry to two Si atoms. In the fourthmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-685105
- 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; SiO4; O-Si
- OSTI Identifier:
- 1284099
- DOI:
- https://doi.org/10.17188/1284099
Citation Formats
The Materials Project. Materials Data on SiO4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1284099.
The Materials Project. Materials Data on SiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1284099
The Materials Project. 2019.
"Materials Data on SiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1284099. https://www.osti.gov/servlets/purl/1284099. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1284099,
title = {Materials Data on SiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {SiO4 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one SiO4 ribbon oriented in the (1, 0, 0) direction. there are three inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Si–O bond distances ranging from 1.55–2.16 Å. In the second Si site, Si is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Si–O bond distances ranging from 1.39–1.99 Å. In the third Si site, Si is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Si–O bond distances ranging from 1.50–2.15 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Si and one O atom. The O–O bond length is 1.53 Å. In the second O site, O is bonded in a 3-coordinate geometry to one Si and two O atoms. There is one shorter (1.21 Å) and one longer (1.66 Å) O–O bond length. In the third O site, O is bonded in a water-like geometry to two Si atoms. In the fourth O site, O is bonded in a single-bond geometry to one Si atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the sixth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.45 Å. In the seventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.80 Å. In the eighth O site, O is bonded in a distorted single-bond geometry to one Si and one O atom. In the ninth O site, O is bonded in a distorted L-shaped geometry to one Si and one O atom. In the tenth O site, O is bonded in a 1-coordinate geometry to one Si and one O atom. In the eleventh O site, O is bonded in a water-like geometry to two Si atoms. In the twelfth O site, O is bonded in a single-bond geometry to one Si and one O atom.},
doi = {10.17188/1284099},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}