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Title: Materials Data on Hg2As3Br by Materials Project

Abstract

Hg2As3Br is Sylvanite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Hg2+ is bonded in a 6-coordinate geometry to three As1- and three equivalent Br1- atoms. There are a spread of Hg–As bond distances ranging from 2.60–3.14 Å. There are a spread of Hg–Br bond distances ranging from 3.18–3.66 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded to two equivalent Hg2+ and two As1- atoms to form distorted corner-sharing AsHg2As2 trigonal pyramids. There are one shorter (2.47 Å) and one longer (2.49 Å) As–As bond lengths. In the second As1- site, As1- is bonded to two equivalent Hg2+ and two equivalent As1- atoms to form corner-sharing AsHg2As2 tetrahedra. Br1- is bonded in a 6-coordinate geometry to six equivalent Hg2+ atoms.

Publication Date:
Other Number(s):
mp-28899
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; Hg2As3Br; As-Br-Hg
OSTI Identifier:
1202975
DOI:
10.17188/1202975

Citation Formats

The Materials Project. Materials Data on Hg2As3Br by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202975.
The Materials Project. Materials Data on Hg2As3Br by Materials Project. United States. doi:10.17188/1202975.
The Materials Project. 2020. "Materials Data on Hg2As3Br by Materials Project". United States. doi:10.17188/1202975. https://www.osti.gov/servlets/purl/1202975. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1202975,
title = {Materials Data on Hg2As3Br by Materials Project},
author = {The Materials Project},
abstractNote = {Hg2As3Br is Sylvanite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Hg2+ is bonded in a 6-coordinate geometry to three As1- and three equivalent Br1- atoms. There are a spread of Hg–As bond distances ranging from 2.60–3.14 Å. There are a spread of Hg–Br bond distances ranging from 3.18–3.66 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded to two equivalent Hg2+ and two As1- atoms to form distorted corner-sharing AsHg2As2 trigonal pyramids. There are one shorter (2.47 Å) and one longer (2.49 Å) As–As bond lengths. In the second As1- site, As1- is bonded to two equivalent Hg2+ and two equivalent As1- atoms to form corner-sharing AsHg2As2 tetrahedra. Br1- is bonded in a 6-coordinate geometry to six equivalent Hg2+ atoms.},
doi = {10.17188/1202975},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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