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Title: Materials Data on AgHg2PO4 by Materials Project

Abstract

AgHg2PO4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ag1+ is bonded in a water-like geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.34 Å. Hg1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.30–2.44 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.55–1.58 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ag1+, one Hg1+, and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Hg1+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hg1+ and one P5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556798
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; AgHg2PO4; Ag-Hg-O-P
OSTI Identifier:
1269543
DOI:
10.17188/1269543

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AgHg2PO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269543.
Persson, Kristin, & Project, Materials. Materials Data on AgHg2PO4 by Materials Project. United States. doi:10.17188/1269543.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on AgHg2PO4 by Materials Project". United States. doi:10.17188/1269543. https://www.osti.gov/servlets/purl/1269543. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1269543,
title = {Materials Data on AgHg2PO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AgHg2PO4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ag1+ is bonded in a water-like geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.34 Å. Hg1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.30–2.44 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.55–1.58 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ag1+, one Hg1+, and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Hg1+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hg1+ and one P5+ atom.},
doi = {10.17188/1269543},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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