U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Si4CO13 by Materials Project
Abstract
Si4CO13 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Si4CO13 sheet oriented in the (2, 0, -1) direction. there are two inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form distorted corner-sharing SiO4 trigonal pyramids. There are a spread of Si–O bond distances ranging from 1.53–2.30 Å. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. C is bonded in a linear geometry to two equivalent O atoms. Both C–O bond lengths are 1.18 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Si and one C atom. In the second O site, O is bonded in a bent 120 degrees geometry to two Si atoms. In the third O site, O is bonded in a water-like geometry to two O atoms. There is one shorter (1.20 Å) and one longer (1.83 Å) O–O bond length. In the fourth O site, O is bonded in a bent 120 degrees geometrymore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1209673
- 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; Si4CO13; C-O-Si
- OSTI Identifier:
- 1665751
- DOI:
- https://doi.org/10.17188/1665751
Citation Formats
The Materials Project. Materials Data on Si4CO13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1665751.
The Materials Project. Materials Data on Si4CO13 by Materials Project. United States. doi:https://doi.org/10.17188/1665751
The Materials Project. 2020.
"Materials Data on Si4CO13 by Materials Project". United States. doi:https://doi.org/10.17188/1665751. https://www.osti.gov/servlets/purl/1665751. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1665751,
title = {Materials Data on Si4CO13 by Materials Project},
author = {The Materials Project},
abstractNote = {Si4CO13 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Si4CO13 sheet oriented in the (2, 0, -1) direction. there are two inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form distorted corner-sharing SiO4 trigonal pyramids. There are a spread of Si–O bond distances ranging from 1.53–2.30 Å. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. C is bonded in a linear geometry to two equivalent O atoms. Both C–O bond lengths are 1.18 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Si and one C atom. In the second O site, O is bonded in a bent 120 degrees geometry to two Si atoms. In the third O site, O is bonded in a water-like geometry to two O atoms. There is one shorter (1.20 Å) and one longer (1.83 Å) O–O bond length. In the fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent Si atoms. In the fifth O site, O is bonded in a single-bond geometry to one Si and one O atom. In the sixth O site, O is bonded in a single-bond geometry to one Si atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to two Si atoms.},
doi = {10.17188/1665751},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}