Materials Data on Li(NO)6 by Materials Project

doi:10.17188/1718579

Title: Materials Data on Li(NO)6 by Materials Project

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Abstract

Li(N2O)2(NO2)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight nitrous acid molecules and four Li(N2O)2 clusters. In each Li(N2O)2 cluster, Li1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 2.03 Å. There are two inequivalent N+1.83+ sites. In the first N+1.83+ site, N+1.83+ is bonded in a distorted bent 150 degrees geometry to one N+1.83+ and one O2- atom. The N–N bond length is 1.17 Å. The N–O bond length is 1.26 Å. In the second N+1.83+ site, N+1.83+ is bonded in a single-bond geometry to one N+1.83+ atom. O2- is bonded in an L-shaped geometry to one Li1+ and one N+1.83+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1212277

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; Li(NO)6; Li-N-O

OSTI Identifier:: 1718579

DOI:: https://doi.org/10.17188/1718579

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                    The Materials Project. Materials Data on Li(NO)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1718579.

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                    The Materials Project. Materials Data on Li(NO)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1718579

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                    The Materials Project. 2020.  
"Materials Data on Li(NO)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1718579.  https://www.osti.gov/servlets/purl/1718579. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1718579,

  title        = {Materials Data on Li(NO)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li(N2O)2(NO2)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight nitrous acid molecules and four Li(N2O)2 clusters. In each Li(N2O)2 cluster, Li1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 2.03 Å. There are two inequivalent N+1.83+ sites. In the first N+1.83+ site, N+1.83+ is bonded in a distorted bent 150 degrees geometry to one N+1.83+ and one O2- atom. The N–N bond length is 1.17 Å. The N–O bond length is 1.26 Å. In the second N+1.83+ site, N+1.83+ is bonded in a single-bond geometry to one N+1.83+ atom. O2- is bonded in an L-shaped geometry to one Li1+ and one N+1.83+ atom.},

  doi          = {10.17188/1718579},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1718579

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