U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SiH12(CO)4 by Materials Project
Abstract
Si(OCH3)4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Si4+ is bonded in a tetrahedral geometry to four equivalent C2- atoms. All Si–C bond lengths are 1.91 Å. C2- is bonded to one Si4+, two H1+, and one O2- atom to form corner-sharing CSiH2O tetrahedra. There is one shorter (1.10 Å) and one longer (1.11 Å) C–H bond length. The C–O bond length is 1.45 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. O2- is bonded in a 2-coordinate geometry to one C2- and two equivalent H1+ atoms.
- Publication Date:
- Other Number(s):
- mp-1199165
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; C-H-O-Si; SiH12(CO)4; crystal structure
- OSTI Identifier:
- 1713341
- DOI:
- https://doi.org/10.17188/1713341
Citation Formats
Materials Data on SiH12(CO)4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1713341.
Materials Data on SiH12(CO)4 by Materials Project. United States. doi:https://doi.org/10.17188/1713341
2019.
"Materials Data on SiH12(CO)4 by Materials Project". United States. doi:https://doi.org/10.17188/1713341. https://www.osti.gov/servlets/purl/1713341. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1713341,
title = {Materials Data on SiH12(CO)4 by Materials Project},
abstractNote = {Si(OCH3)4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Si4+ is bonded in a tetrahedral geometry to four equivalent C2- atoms. All Si–C bond lengths are 1.91 Å. C2- is bonded to one Si4+, two H1+, and one O2- atom to form corner-sharing CSiH2O tetrahedra. There is one shorter (1.10 Å) and one longer (1.11 Å) C–H bond length. The C–O bond length is 1.45 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. O2- is bonded in a 2-coordinate geometry to one C2- and two equivalent H1+ atoms.},
doi = {10.17188/1713341},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}