Materials Data on La3(BN2)2 by Materials Project

doi:10.17188/1275380

Title: Materials Data on La3(BN2)2 by Materials Project

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Abstract

La3(B2N4) crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La2+ sites. In the first La2+ site, La2+ is bonded to six equivalent N3- atoms to form distorted edge-sharing LaN6 pentagonal pyramids. There are two shorter (2.54 Å) and four longer (2.61 Å) La–N bond lengths. In the second La2+ site, La2+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All La–N bond lengths are 2.73 Å. B3+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.48 Å. N3- is bonded in a distorted single-bond geometry to five La2+ and one B3+ atom.

Publication Date:: Thu Jul 16 04:00:00 UTC 2020

Other Number(s):: mp-569935

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; B-La-N; La3(BN2)2; crystal structure

OSTI Identifier:: 1275380

DOI:: https://doi.org/10.17188/1275380

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                    Materials Data on La3(BN2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275380.

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                    Materials Data on La3(BN2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275380

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                    2020.  
"Materials Data on La3(BN2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275380.  https://www.osti.gov/servlets/purl/1275380. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1275380,

  title        = {Materials Data on La3(BN2)2 by Materials Project},

  
  abstractNote = {La3(B2N4) crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La2+ sites. In the first La2+ site, La2+ is bonded to six equivalent N3- atoms to form distorted edge-sharing LaN6 pentagonal pyramids. There are two shorter (2.54 Å) and four longer (2.61 Å) La–N bond lengths. In the second La2+ site, La2+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All La–N bond lengths are 2.73 Å. B3+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.48 Å. N3- is bonded in a distorted single-bond geometry to five La2+ and one B3+ atom.},

  doi          = {10.17188/1275380},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 04:00:00 UTC 2020},

  month        = {Thu Jul 16 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1275380

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