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Title: Materials Data on InHg6As4Cl7 by Materials Project

Abstract

Hg6InAs4Cl7 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Hg2+ is bonded in a 7-coordinate geometry to two As+1.50- and five Cl1- atoms. Both Hg–As bond lengths are 2.57 Å. There are a spread of Hg–Cl bond distances ranging from 3.18–3.49 Å. In1+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All In–Cl bond lengths are 2.56 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded to three equivalent Hg2+ and one As+1.50- atom to form corner-sharing AsHg3As tetrahedra. The As–As bond length is 2.48 Å. In the second As+1.50- site, As+1.50- is bonded to three equivalent Hg2+ and one As+1.50- atom to form corner-sharing AsHg3As tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent Hg2+ and one In1+ atom. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six equivalent Hg2+ atoms.

Publication Date:
Other Number(s):
mp-571341
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; InHg6As4Cl7; As-Cl-Hg-In
OSTI Identifier:
1276210
DOI:
10.17188/1276210

Citation Formats

The Materials Project. Materials Data on InHg6As4Cl7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276210.
The Materials Project. Materials Data on InHg6As4Cl7 by Materials Project. United States. doi:10.17188/1276210.
The Materials Project. 2020. "Materials Data on InHg6As4Cl7 by Materials Project". United States. doi:10.17188/1276210. https://www.osti.gov/servlets/purl/1276210. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1276210,
title = {Materials Data on InHg6As4Cl7 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg6InAs4Cl7 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Hg2+ is bonded in a 7-coordinate geometry to two As+1.50- and five Cl1- atoms. Both Hg–As bond lengths are 2.57 Å. There are a spread of Hg–Cl bond distances ranging from 3.18–3.49 Å. In1+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All In–Cl bond lengths are 2.56 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded to three equivalent Hg2+ and one As+1.50- atom to form corner-sharing AsHg3As tetrahedra. The As–As bond length is 2.48 Å. In the second As+1.50- site, As+1.50- is bonded to three equivalent Hg2+ and one As+1.50- atom to form corner-sharing AsHg3As tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent Hg2+ and one In1+ atom. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six equivalent Hg2+ atoms.},
doi = {10.17188/1276210},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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