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Title: Materials Data on Hg3AsO4 by Materials Project

Abstract

Hg3AsO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to two O2- atoms. There are one shorter (2.20 Å) and one longer (2.76 Å) Hg–O bond lengths. In the second Hg2+ site, Hg2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.23–2.68 Å. In the third Hg2+ site, Hg2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.29–2.56 Å. In the fourth Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to two O2- atoms. There are one shorter (2.19 Å) and one longer (2.69 Å) Hg–O bond lengths. In the fifth Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.33–2.76 Å. In the sixth Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.25–2.80 Å. There are two inequivalent As2+ sites. In the first As2+more » site, As2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.72–1.75 Å. In the second As2+ site, As2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.72–1.75 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Hg2+ and one As2+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Hg2+ and one As2+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Hg2+ and one As2+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Hg2+ and one As2+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Hg2+ and one As2+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Hg2+ and one As2+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Hg2+ and one As2+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Hg2+ and one As2+ atom.« less

Publication Date:
Other Number(s):
mp-556339
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; Hg3AsO4; As-Hg-O
OSTI Identifier:
1269298
DOI:
10.17188/1269298

Citation Formats

The Materials Project. Materials Data on Hg3AsO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269298.
The Materials Project. Materials Data on Hg3AsO4 by Materials Project. United States. doi:10.17188/1269298.
The Materials Project. 2020. "Materials Data on Hg3AsO4 by Materials Project". United States. doi:10.17188/1269298. https://www.osti.gov/servlets/purl/1269298. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1269298,
title = {Materials Data on Hg3AsO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg3AsO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to two O2- atoms. There are one shorter (2.20 Å) and one longer (2.76 Å) Hg–O bond lengths. In the second Hg2+ site, Hg2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.23–2.68 Å. In the third Hg2+ site, Hg2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.29–2.56 Å. In the fourth Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to two O2- atoms. There are one shorter (2.19 Å) and one longer (2.69 Å) Hg–O bond lengths. In the fifth Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.33–2.76 Å. In the sixth Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.25–2.80 Å. There are two inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.72–1.75 Å. In the second As2+ site, As2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.72–1.75 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Hg2+ and one As2+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Hg2+ and one As2+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Hg2+ and one As2+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Hg2+ and one As2+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Hg2+ and one As2+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Hg2+ and one As2+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Hg2+ and one As2+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Hg2+ and one As2+ atom.},
doi = {10.17188/1269298},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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