Materials Data on SiH27C10N3F2 by Materials Project
Abstract
CH2CH2CH2NHCH2CH2NHCH2CH2NH2SiC3H9F2 is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3 space group. The structure is zero-dimensional and consists of two tris(dimethylamino)methane molecules and two SiC3H9F2 clusters. In each SiC3H9F2 cluster, Si4+ is bonded in a trigonal bipyramidal geometry to three equivalent C2- and two F1- atoms. All Si–C bond lengths are 1.90 Å. There is one shorter (1.82 Å) and one longer (1.84 Å) Si–F bond length. C2- is bonded to one Si4+ and three H1+ atoms to form distorted corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. There are three 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. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2- 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 single-bond geometry to one Si4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1173435
- 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; SiH27C10N3F2; C-F-H-N-Si
- OSTI Identifier:
- 1692708
- DOI:
- https://doi.org/10.17188/1692708
Citation Formats
The Materials Project. Materials Data on SiH27C10N3F2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1692708.
The Materials Project. Materials Data on SiH27C10N3F2 by Materials Project. United States. doi:https://doi.org/10.17188/1692708
The Materials Project. 2019.
"Materials Data on SiH27C10N3F2 by Materials Project". United States. doi:https://doi.org/10.17188/1692708. https://www.osti.gov/servlets/purl/1692708. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1692708,
title = {Materials Data on SiH27C10N3F2 by Materials Project},
author = {The Materials Project},
abstractNote = {CH2CH2CH2NHCH2CH2NHCH2CH2NH2SiC3H9F2 is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3 space group. The structure is zero-dimensional and consists of two tris(dimethylamino)methane molecules and two SiC3H9F2 clusters. In each SiC3H9F2 cluster, Si4+ is bonded in a trigonal bipyramidal geometry to three equivalent C2- and two F1- atoms. All Si–C bond lengths are 1.90 Å. There is one shorter (1.82 Å) and one longer (1.84 Å) Si–F bond length. C2- is bonded to one Si4+ and three H1+ atoms to form distorted corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. There are three 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. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2- 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 single-bond geometry to one Si4+ atom.},
doi = {10.17188/1692708},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}