Materials Data on AgC3N3O by Materials Project

doi:10.17188/1280982

Title: Materials Data on AgC3N3O by Materials Project

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Abstract

AgC3N3O is Indium structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of four AgC3N3O clusters. Ag1+ is bonded in a tetrahedral geometry to three N3- and one O2- atom. There are a spread of Ag–N bond distances ranging from 2.25–2.34 Å. The Ag–O bond length is 2.45 Å. There are three inequivalent C+3.33+ sites. In the first C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the third C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.36 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one C+3.33+ atom. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Ag1+, one C+3.33+, and one O2- atom. The N–O bond length is 1.28 Å. In the third N3- site, N3- is bonded in a bent 150 degreesmore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-650510

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; AgC3N3O; Ag-C-N-O

OSTI Identifier:: 1280982

DOI:: https://doi.org/10.17188/1280982

Citation Formats


                    The Materials Project. Materials Data on AgC3N3O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280982.

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                    The Materials Project. Materials Data on AgC3N3O by Materials Project.  United States.  doi:https://doi.org/10.17188/1280982

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                    The Materials Project. 2020.  
"Materials Data on AgC3N3O by Materials Project".  United States.  doi:https://doi.org/10.17188/1280982.  https://www.osti.gov/servlets/purl/1280982. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1280982,

  title        = {Materials Data on AgC3N3O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgC3N3O is Indium structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of four AgC3N3O clusters. Ag1+ is bonded in a tetrahedral geometry to three N3- and one O2- atom. There are a spread of Ag–N bond distances ranging from 2.25–2.34 Å. The Ag–O bond length is 2.45 Å. There are three inequivalent C+3.33+ sites. In the first C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the third C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.36 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one C+3.33+ atom. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Ag1+, one C+3.33+, and one O2- atom. The N–O bond length is 1.28 Å. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one Ag1+ and one C+3.33+ atom. O2- is bonded in a bent 120 degrees geometry to one Ag1+ and one N3- atom.},

  doi          = {10.17188/1280982},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1280982

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