Materials Data on Li3Co(NO2)6 by Materials Project

doi:10.17188/1301170

Title: Materials Data on Li3Co(NO2)6 by Materials Project

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Abstract

(Li(NO2)2)3Co crystallizes in the trigonal R-3m space group. The structure is three-dimensional and consists of three cobalt molecules and one Li(NO2)2 framework. In the Li(NO2)2 framework, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.01 Å) and three longer (2.30 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded in a 12-coordinate geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.43 Å. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one N3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Li1+ and one N3+ atom.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-772317

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; Li3Co(NO2)6; Co-Li-N-O

OSTI Identifier:: 1301170

DOI:: https://doi.org/10.17188/1301170

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                    The Materials Project. Materials Data on Li3Co(NO2)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1301170.

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                    The Materials Project. Materials Data on Li3Co(NO2)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1301170

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                    The Materials Project. 2020.  
"Materials Data on Li3Co(NO2)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1301170.  https://www.osti.gov/servlets/purl/1301170. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1301170,

  title        = {Materials Data on Li3Co(NO2)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Li(NO2)2)3Co crystallizes in the trigonal R-3m space group. The structure is three-dimensional and consists of three cobalt molecules and one Li(NO2)2 framework. In the Li(NO2)2 framework, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.01 Å) and three longer (2.30 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded in a 12-coordinate geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.43 Å. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one N3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Li1+ and one N3+ atom.},

  doi          = {10.17188/1301170},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1301170

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