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Title: Materials Data on Hg3TeO6 by Materials Project

Abstract

Hg3TeO6 is Skutterudite-derived structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Hg2+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.08–2.89 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Te–O bond lengths are 1.98 Å. In the second Te6+ site, Te6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Te–O bond lengths are 1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Hg2+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Hg2+ and one Te6+ atom.

Publication Date:
Other Number(s):
mp-3538
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; Hg3TeO6; Hg-O-Te
OSTI Identifier:
1206987
DOI:
https://doi.org/10.17188/1206987

Citation Formats

The Materials Project. Materials Data on Hg3TeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206987.
The Materials Project. Materials Data on Hg3TeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1206987
The Materials Project. 2020. "Materials Data on Hg3TeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1206987. https://www.osti.gov/servlets/purl/1206987. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1206987,
title = {Materials Data on Hg3TeO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg3TeO6 is Skutterudite-derived structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Hg2+ is bonded in a distorted linear geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.08–2.89 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Te–O bond lengths are 1.98 Å. In the second Te6+ site, Te6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Te–O bond lengths are 1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Hg2+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Hg2+ and one Te6+ atom.},
doi = {10.17188/1206987},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}