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Title: Materials Data on AgHgAsS3 by Materials Project

Abstract

AgHgAsS3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.55–2.88 Å. Hg2+ is bonded to four S2- atoms to form corner-sharing HgS4 tetrahedra. There are a spread of Hg–S bond distances ranging from 2.52–2.79 Å. As3+ is bonded in a 4-coordinate geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.33 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ag1+, one Hg2+, and one As3+ atom to form corner-sharing SAg2HgAs tetrahedra. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Ag1+, two equivalent Hg2+, and one As3+ atom. In the third S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+, one Hg2+, and one As3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-6215
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; AgHgAsS3; Ag-As-Hg-S
OSTI Identifier:
1278048
DOI:
10.17188/1278048

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AgHgAsS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278048.
Persson, Kristin, & Project, Materials. Materials Data on AgHgAsS3 by Materials Project. United States. doi:10.17188/1278048.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on AgHgAsS3 by Materials Project". United States. doi:10.17188/1278048. https://www.osti.gov/servlets/purl/1278048. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1278048,
title = {Materials Data on AgHgAsS3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AgHgAsS3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.55–2.88 Å. Hg2+ is bonded to four S2- atoms to form corner-sharing HgS4 tetrahedra. There are a spread of Hg–S bond distances ranging from 2.52–2.79 Å. As3+ is bonded in a 4-coordinate geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.33 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ag1+, one Hg2+, and one As3+ atom to form corner-sharing SAg2HgAs tetrahedra. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Ag1+, two equivalent Hg2+, and one As3+ atom. In the third S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+, one Hg2+, and one As3+ atom.},
doi = {10.17188/1278048},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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