U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SiH10C2N4(OF3)2 by Materials Project
Abstract
SiC2N4H10(OF3)2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of four SiC2N4H10(OF3)2 clusters. Si4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Si–F bond distances ranging from 1.71–1.73 Å. C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. Both C–N bond lengths are 1.33 Å. The C–O bond length is 1.32 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the second N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.54 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-722686
- 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; SiH10C2N4(OF3)2; C-F-H-N-O-Si
- OSTI Identifier:
- 1287504
- DOI:
- https://doi.org/10.17188/1287504
Citation Formats
The Materials Project. Materials Data on SiH10C2N4(OF3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287504.
The Materials Project. Materials Data on SiH10C2N4(OF3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1287504
The Materials Project. 2020.
"Materials Data on SiH10C2N4(OF3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1287504. https://www.osti.gov/servlets/purl/1287504. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1287504,
title = {Materials Data on SiH10C2N4(OF3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SiC2N4H10(OF3)2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of four SiC2N4H10(OF3)2 clusters. Si4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Si–F bond distances ranging from 1.71–1.73 Å. C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. Both C–N bond lengths are 1.33 Å. The C–O bond length is 1.32 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the second N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.54 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. O2- is bonded in a bent 120 degrees geometry to one C4+ and one H1+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Si4+ and one H1+ atom.},
doi = {10.17188/1287504},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}