Materials Data on AgCNO by Materials Project

doi:10.17188/1272258

Title: Materials Data on AgCNO by Materials Project

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Abstract

AgNCO crystallizes in the orthorhombic Cmmm space group. The structure is one-dimensional and consists of two CO ribbons oriented in the (0, 0, 1) direction and two NAg ribbons oriented in the (0, 0, 1) direction. In each CO ribbon, C4+ is bonded in a linear geometry to two equivalent O2- atoms. Both C–O bond lengths are 1.81 Å. O2- is bonded in a distorted linear geometry to two equivalent C4+ atoms. In each NAg ribbon, Ag1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ag–N bond lengths are 1.81 Å. N3- is bonded in a distorted linear geometry to two equivalent Ag1+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-561891

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; AgCNO; Ag-C-N-O

OSTI Identifier:: 1272258

DOI:: https://doi.org/10.17188/1272258

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                    The Materials Project. Materials Data on AgCNO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272258.

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                    The Materials Project. Materials Data on AgCNO by Materials Project.  United States.  doi:https://doi.org/10.17188/1272258

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                    The Materials Project. 2020.  
"Materials Data on AgCNO by Materials Project".  United States.  doi:https://doi.org/10.17188/1272258.  https://www.osti.gov/servlets/purl/1272258. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1272258,

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

  author       = {The Materials Project},

  abstractNote = {AgNCO crystallizes in the orthorhombic Cmmm space group. The structure is one-dimensional and consists of two CO ribbons oriented in the (0, 0, 1) direction and two NAg ribbons oriented in the (0, 0, 1) direction. In each CO ribbon, C4+ is bonded in a linear geometry to two equivalent O2- atoms. Both C–O bond lengths are 1.81 Å. O2- is bonded in a distorted linear geometry to two equivalent C4+ atoms. In each NAg ribbon, Ag1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ag–N bond lengths are 1.81 Å. N3- is bonded in a distorted linear geometry to two equivalent Ag1+ atoms.},

  doi          = {10.17188/1272258},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1272258

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Materials Data on AgCNO by Materials Project

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AgNCO crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ag1+ is bonded in a 5-coordinate geometry to two equivalent C4+ and three equivalent O2- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–C bond lengths. There are a spread of Ag–O bond distances ranging from 2.72–3.10 Å. C4+ is bonded in a 1-coordinate geometry to two equivalent Ag1+ and one N3- atom. The C–N bond length is 1.19 Å. N3- is bonded in a linear geometry to one C4+ and one O2- atom. The N–O bond length is 1.23 Å. O2- is bondedmore »« less
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Materials Data on AgCNO by Materials Project

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AgNCO crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ag1+ is bonded to two equivalent C4+ and four equivalent O2- atoms to form a mixture of distorted face, edge, and corner-sharing AgC2O4 octahedra. The corner-sharing octahedral tilt angles are 57°. Both Ag–C bond lengths are 2.14 Å. All Ag–O bond lengths are 3.08 Å. C4+ is bonded in a 3-coordinate geometry to two equivalent Ag1+ and one N3- atom. The C–N bond length is 1.19 Å. N3- is bonded in a linear geometry to one C4+ and one O2- atom. The N–O bond length is 1.23 Å.more »« less
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