U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Si8HgC18 by Materials Project
Abstract
Hg(Si4C9)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one mercury molecule and two Si4C9 sheets oriented in the (0, 0, 1) direction. In each Si4C9 sheet, there are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a distorted tetrahedral geometry to four C+1.89- atoms. There are a spread of Si–C bond distances ranging from 1.80–1.89 Å. In the second Si4+ site, Si4+ is bonded in a distorted trigonal planar geometry to three C+1.89- atoms. There are a spread of Si–C bond distances ranging from 1.79–1.92 Å. In the third Si4+ site, Si4+ is bonded in a trigonal planar geometry to three C+1.89- atoms. There are a spread of Si–C bond distances ranging from 1.76–1.87 Å. In the fourth Si4+ site, Si4+ is bonded in a bent 120 degrees geometry to two C+1.89- atoms. There is one shorter (1.84 Å) and one longer (1.90 Å) Si–C bond length. There are nine inequivalent C+1.89- sites. In the first C+1.89- site, C+1.89- is bonded in a 2-coordinate geometry to two C+1.89- atoms. There is one shorter (1.33 Å) and one longer (1.54 Å) C–C bond length. In the second C+1.89- site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1219839
- 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; Si8HgC18; C-Hg-Si
- OSTI Identifier:
- 1708748
- DOI:
- https://doi.org/10.17188/1708748
Citation Formats
The Materials Project. Materials Data on Si8HgC18 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1708748.
The Materials Project. Materials Data on Si8HgC18 by Materials Project. United States. doi:https://doi.org/10.17188/1708748
The Materials Project. 2019.
"Materials Data on Si8HgC18 by Materials Project". United States. doi:https://doi.org/10.17188/1708748. https://www.osti.gov/servlets/purl/1708748. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1708748,
title = {Materials Data on Si8HgC18 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg(Si4C9)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one mercury molecule and two Si4C9 sheets oriented in the (0, 0, 1) direction. In each Si4C9 sheet, there are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a distorted tetrahedral geometry to four C+1.89- atoms. There are a spread of Si–C bond distances ranging from 1.80–1.89 Å. In the second Si4+ site, Si4+ is bonded in a distorted trigonal planar geometry to three C+1.89- atoms. There are a spread of Si–C bond distances ranging from 1.79–1.92 Å. In the third Si4+ site, Si4+ is bonded in a trigonal planar geometry to three C+1.89- atoms. There are a spread of Si–C bond distances ranging from 1.76–1.87 Å. In the fourth Si4+ site, Si4+ is bonded in a bent 120 degrees geometry to two C+1.89- atoms. There is one shorter (1.84 Å) and one longer (1.90 Å) Si–C bond length. There are nine inequivalent C+1.89- sites. In the first C+1.89- site, C+1.89- is bonded in a 2-coordinate geometry to two C+1.89- atoms. There is one shorter (1.33 Å) and one longer (1.54 Å) C–C bond length. In the second C+1.89- site, C+1.89- is bonded in a 1-coordinate geometry to one Si4+ and two C+1.89- atoms. There is one shorter (1.37 Å) and one longer (1.38 Å) C–C bond length. In the third C+1.89- site, C+1.89- is bonded in a 2-coordinate geometry to one Si4+ and two C+1.89- atoms. The C–C bond length is 1.72 Å. In the fourth C+1.89- site, C+1.89- is bonded in a 3-coordinate geometry to one Si4+ and two C+1.89- atoms. The C–C bond length is 1.57 Å. In the fifth C+1.89- site, C+1.89- is bonded in a 2-coordinate geometry to two Si4+ and two C+1.89- atoms. In the sixth C+1.89- site, C+1.89- is bonded in a 1-coordinate geometry to one Si4+ and two C+1.89- atoms. In the seventh C+1.89- site, C+1.89- is bonded in a trigonal planar geometry to two Si4+ and one C+1.89- atom. The C–C bond length is 1.33 Å. In the eighth C+1.89- site, C+1.89- is bonded in a trigonal planar geometry to three Si4+ atoms. In the ninth C+1.89- site, C+1.89- is bonded in a distorted bent 150 degrees geometry to one Si4+ and one C+1.89- atom.},
doi = {10.17188/1708748},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}