Materials Data on AgC4N3 by Materials Project

doi:10.17188/1204153

Title: Materials Data on AgC4N3 by Materials Project

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Abstract

Ag(CN)3C crystallizes in the orthorhombic Ima2 space group. The structure is zero-dimensional and consists of four methane molecules and four Ag(CN)3 clusters. In each Ag(CN)3 cluster, Ag1+ is bonded in a trigonal planar geometry to three N3- atoms. There are one shorter (2.14 Å) and two longer (2.24 Å) Ag–N bond lengths. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to one Ag1+ and one C2+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Ag1+ and one C2+ atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-29672

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; AgC4N3; Ag-C-N

OSTI Identifier:: 1204153

DOI:: https://doi.org/10.17188/1204153

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                    The Materials Project. Materials Data on AgC4N3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204153.

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                    The Materials Project. Materials Data on AgC4N3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204153

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                    The Materials Project. 2020.  
"Materials Data on AgC4N3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204153.  https://www.osti.gov/servlets/purl/1204153. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1204153,

  title        = {Materials Data on AgC4N3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag(CN)3C crystallizes in the orthorhombic Ima2 space group. The structure is zero-dimensional and consists of four methane molecules and four Ag(CN)3 clusters. In each Ag(CN)3 cluster, Ag1+ is bonded in a trigonal planar geometry to three N3- atoms. There are one shorter (2.14 Å) and two longer (2.24 Å) Ag–N bond lengths. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to one Ag1+ and one C2+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Ag1+ and one C2+ atom.},

  doi          = {10.17188/1204153},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204153

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