DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Hg3AsBrO4 by Materials Project

Abstract

Hg3AsO4Br crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Hg2+ is bonded in a 2-coordinate geometry to three O2- and one Br1- atom. There are a spread of Hg–O bond distances ranging from 2.29–2.77 Å. The Hg–Br bond length is 2.95 Å. As3+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.71 Å) and three longer (1.75 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hg2+ and one As3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Hg2+ and one As3+ atom. Br1- is bonded in a 3-coordinate geometry to three equivalent Hg2+ atoms.

Publication Date:
Other Number(s):
mp-558945
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; Hg3AsBrO4; As-Br-Hg-O
OSTI Identifier:
1270569
DOI:
https://doi.org/10.17188/1270569

Citation Formats

The Materials Project. Materials Data on Hg3AsBrO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270569.
The Materials Project. Materials Data on Hg3AsBrO4 by Materials Project. United States. doi:https://doi.org/10.17188/1270569
The Materials Project. 2020. "Materials Data on Hg3AsBrO4 by Materials Project". United States. doi:https://doi.org/10.17188/1270569. https://www.osti.gov/servlets/purl/1270569. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1270569,
title = {Materials Data on Hg3AsBrO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg3AsO4Br crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Hg2+ is bonded in a 2-coordinate geometry to three O2- and one Br1- atom. There are a spread of Hg–O bond distances ranging from 2.29–2.77 Å. The Hg–Br bond length is 2.95 Å. As3+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.71 Å) and three longer (1.75 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hg2+ and one As3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Hg2+ and one As3+ atom. Br1- is bonded in a 3-coordinate geometry to three equivalent Hg2+ atoms.},
doi = {10.17188/1270569},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}