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Title: Materials Data on Si2Hg6O7 by Materials Project

Abstract

Hg6Si2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Hg1+ sites. In the first Hg1+ site, Hg1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.18–2.71 Å. In the second Hg1+ site, Hg1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are one shorter (2.16 Å) and two longer (2.91 Å) Hg–O bond lengths. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Hg1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Hg1+ and one Si4+ atom.

Publication Date:
Other Number(s):
mp-28712
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Si2Hg6O7; Hg-O-Si
OSTI Identifier:
1202781
DOI:
https://doi.org/10.17188/1202781

Citation Formats

The Materials Project. Materials Data on Si2Hg6O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202781.
The Materials Project. Materials Data on Si2Hg6O7 by Materials Project. United States. doi:https://doi.org/10.17188/1202781
The Materials Project. 2020. "Materials Data on Si2Hg6O7 by Materials Project". United States. doi:https://doi.org/10.17188/1202781. https://www.osti.gov/servlets/purl/1202781. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1202781,
title = {Materials Data on Si2Hg6O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg6Si2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Hg1+ sites. In the first Hg1+ site, Hg1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.18–2.71 Å. In the second Hg1+ site, Hg1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are one shorter (2.16 Å) and two longer (2.91 Å) Hg–O bond lengths. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Hg1+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Hg1+ and one Si4+ atom.},
doi = {10.17188/1202781},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}