Materials Data on Ag6HgNO11 by Materials Project

doi:10.17188/1684116

Title: Materials Data on Ag6HgNO11 by Materials Project

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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 »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

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

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                    The Materials Project. Materials Data on Ag6HgNO11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1684116.

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                    The Materials Project. Materials Data on Ag6HgNO11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1684116

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                    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

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@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         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1684116

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