Materials Data on AgB10H26C6N by Materials Project

doi:10.17188/1287891

Title: Materials Data on AgB10H26C6N by Materials Project

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Abstract

Ag(BH)3(BH)7C6NH16 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twenty-eight boranediylradical molecules, four triethylammonium molecules, and four Ag(BH)3 clusters. In each Ag(BH)3 cluster, Ag1+ is bonded in a 3-coordinate geometry to three H1+ atoms. There are a spread of Ag–H bond distances ranging from 2.09–2.24 Å. There are three inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to one H1+ atom. The B–H bond length is 1.22 Å. In the second B site, B is bonded in a distorted single-bond geometry to one H1+ atom. The B–H bond length is 1.21 Å. In the third B site, B is bonded in a distorted single-bond geometry to one H1+ atom. The B–H bond length is 1.23 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted water-like geometry to one Ag1+ and one B atom. In the second H1+ site, H1+ is bonded in a distorted water-like geometry to one Ag1+ and one B atom. In the third H1+ site, H1+ is bonded in a distorted water-like geometry to one Ag1+ and one B atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-738633

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; AgB10H26C6N; Ag-B-C-H-N

OSTI Identifier:: 1287891

DOI:: https://doi.org/10.17188/1287891

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                    The Materials Project. Materials Data on AgB10H26C6N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287891.

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                    The Materials Project. Materials Data on AgB10H26C6N by Materials Project.  United States.  doi:https://doi.org/10.17188/1287891

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                    The Materials Project. 2020.  
"Materials Data on AgB10H26C6N by Materials Project".  United States.  doi:https://doi.org/10.17188/1287891.  https://www.osti.gov/servlets/purl/1287891. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1287891,

  title        = {Materials Data on AgB10H26C6N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag(BH)3(BH)7C6NH16 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twenty-eight boranediylradical molecules, four triethylammonium molecules, and four Ag(BH)3 clusters. In each Ag(BH)3 cluster, Ag1+ is bonded in a 3-coordinate geometry to three H1+ atoms. There are a spread of Ag–H bond distances ranging from 2.09–2.24 Å. There are three inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to one H1+ atom. The B–H bond length is 1.22 Å. In the second B site, B is bonded in a distorted single-bond geometry to one H1+ atom. The B–H bond length is 1.21 Å. In the third B site, B is bonded in a distorted single-bond geometry to one H1+ atom. The B–H bond length is 1.23 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted water-like geometry to one Ag1+ and one B atom. In the second H1+ site, H1+ is bonded in a distorted water-like geometry to one Ag1+ and one B atom. In the third H1+ site, H1+ is bonded in a distorted water-like geometry to one Ag1+ and one B atom.},

  doi          = {10.17188/1287891},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1287891

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