U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SiHg2(OF3)2 by Materials Project
Abstract
Hg2Si(OF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Hg2Si(OF3)2 ribbons oriented in the (1, 1, 0) direction. Hg is bonded in a distorted linear geometry to one O and one F atom. The Hg–O bond length is 2.05 Å. The Hg–F bond length is 2.14 Å. Si is bonded in an octahedral geometry to six F atoms. There are a spread of Si–F bond distances ranging from 1.67–1.81 Å. O is bonded in a water-like geometry to one Hg and one O atom. The O–O bond length is 1.48 Å. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Si atom. In the second F site, F is bonded in a single-bond geometry to one Si atom. In the third F site, F is bonded in a bent 120 degrees geometry to one Hg and one Si atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1179477
- 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; SiHg2(OF3)2; F-Hg-O-Si
- OSTI Identifier:
- 1740442
- DOI:
- https://doi.org/10.17188/1740442
Citation Formats
The Materials Project. Materials Data on SiHg2(OF3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740442.
The Materials Project. Materials Data on SiHg2(OF3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1740442
The Materials Project. 2020.
"Materials Data on SiHg2(OF3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1740442. https://www.osti.gov/servlets/purl/1740442. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1740442,
title = {Materials Data on SiHg2(OF3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg2Si(OF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Hg2Si(OF3)2 ribbons oriented in the (1, 1, 0) direction. Hg is bonded in a distorted linear geometry to one O and one F atom. The Hg–O bond length is 2.05 Å. The Hg–F bond length is 2.14 Å. Si is bonded in an octahedral geometry to six F atoms. There are a spread of Si–F bond distances ranging from 1.67–1.81 Å. O is bonded in a water-like geometry to one Hg and one O atom. The O–O bond length is 1.48 Å. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Si atom. In the second F site, F is bonded in a single-bond geometry to one Si atom. In the third F site, F is bonded in a bent 120 degrees geometry to one Hg and one Si atom.},
doi = {10.17188/1740442},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}