Materials Data on BH9(CO)3 by Materials Project
Abstract
B(OCH3)3 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of two trimethyl borate molecules. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. C2- is bonded in a tetrahedral geometry to three H1+ and one O2- atom. All C–H bond lengths are 1.10 Å. The C–O bond length is 1.44 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. O2- is bonded in a bent 120 degrees geometry to one B3+ and one C2- atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-558506
- 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; BH9(CO)3; B-C-H-O
- OSTI Identifier:
- 1270368
- DOI:
- https://doi.org/10.17188/1270368
Citation Formats
The Materials Project. Materials Data on BH9(CO)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270368.
The Materials Project. Materials Data on BH9(CO)3 by Materials Project. United States. doi:https://doi.org/10.17188/1270368
The Materials Project. 2020.
"Materials Data on BH9(CO)3 by Materials Project". United States. doi:https://doi.org/10.17188/1270368. https://www.osti.gov/servlets/purl/1270368. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1270368,
title = {Materials Data on BH9(CO)3 by Materials Project},
author = {The Materials Project},
abstractNote = {B(OCH3)3 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of two trimethyl borate molecules. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. C2- is bonded in a tetrahedral geometry to three H1+ and one O2- atom. All C–H bond lengths are 1.10 Å. The C–O bond length is 1.44 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. O2- is bonded in a bent 120 degrees geometry to one B3+ and one C2- atom.},
doi = {10.17188/1270368},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 24 00:00:00 EDT 2020},
month = {Fri Jul 24 00:00:00 EDT 2020}
}
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