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Title: Materials Data on Ag6HgNO11 by Materials Project

Abstract

Ag6HgNO11 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are three inequivalent Ag+2.50+ sites. In the first Ag+2.50+ site, Ag+2.50+ is bonded in a 4-coordinate geometry to five O2- atoms. There are four shorter (2.11 Å) and one longer (2.71 Å) Ag–O bond lengths. In the second Ag+2.50+ site, Ag+2.50+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.09 Å) and two longer (2.10 Å) Ag–O bond lengths. In the third Ag+2.50+ site, Ag+2.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.13–2.72 Å. Hg2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.48 Å) and four longer (2.49 Å) Hg–O bond lengths. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.27 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ag+2.50+ and one Hg2+ atom to form a mixture of distorted edge and corner-sharing OAg3Hg tetrahedra. In the second O2- site, O2- is bondedmore » to three Ag+2.50+ and one Hg2+ atom to form a mixture of distorted edge and corner-sharing OAg3Hg tetrahedra. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ag+2.50+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Ag+2.50+ and one N5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1229201
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ag6HgNO11; Ag-Hg-N-O
OSTI Identifier:
1684116
DOI:
https://doi.org/10.17188/1684116

Citation Formats

The Materials Project. Materials Data on Ag6HgNO11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684116.
The Materials Project. Materials Data on Ag6HgNO11 by Materials Project. United States. doi:https://doi.org/10.17188/1684116
The Materials Project. 2020. "Materials Data on Ag6HgNO11 by Materials Project". United States. doi:https://doi.org/10.17188/1684116. https://www.osti.gov/servlets/purl/1684116. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1684116,
title = {Materials Data on Ag6HgNO11 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag6HgNO11 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are three inequivalent Ag+2.50+ sites. In the first Ag+2.50+ site, Ag+2.50+ is bonded in a 4-coordinate geometry to five O2- atoms. There are four shorter (2.11 Å) and one longer (2.71 Å) Ag–O bond lengths. In the second Ag+2.50+ site, Ag+2.50+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.09 Å) and two longer (2.10 Å) Ag–O bond lengths. In the third Ag+2.50+ site, Ag+2.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.13–2.72 Å. Hg2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.48 Å) and four longer (2.49 Å) Hg–O bond lengths. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.27 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ag+2.50+ and one Hg2+ atom to form a mixture of distorted edge and corner-sharing OAg3Hg tetrahedra. In the second O2- site, O2- is bonded to three Ag+2.50+ and one Hg2+ atom to form a mixture of distorted edge and corner-sharing OAg3Hg tetrahedra. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ag+2.50+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Ag+2.50+ and one N5+ atom.},
doi = {10.17188/1684116},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}