Materials Data on Ce3(BN2)2 by Materials Project

doi:10.17188/1207119

Title: Materials Data on Ce3(BN2)2 by Materials Project

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Abstract

Ce3(BN2)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to six equivalent N3- atoms to form distorted edge-sharing CeN6 pentagonal pyramids. There are two shorter (2.42 Å) and four longer (2.52 Å) Ce–N bond lengths. In the second Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Ce–N bond lengths are 2.64 Å. B is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.49 Å. N3- is bonded in a distorted single-bond geometry to five Ce4+ and one B atom.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-3603

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; Ce3(BN2)2; B-Ce-N

OSTI Identifier:: 1207119

DOI:: https://doi.org/10.17188/1207119

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                    The Materials Project. Materials Data on Ce3(BN2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207119.

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                    The Materials Project. Materials Data on Ce3(BN2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207119

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                    The Materials Project. 2020.  
"Materials Data on Ce3(BN2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207119.  https://www.osti.gov/servlets/purl/1207119. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1207119,

  title        = {Materials Data on Ce3(BN2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce3(BN2)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to six equivalent N3- atoms to form distorted edge-sharing CeN6 pentagonal pyramids. There are two shorter (2.42 Å) and four longer (2.52 Å) Ce–N bond lengths. In the second Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Ce–N bond lengths are 2.64 Å. B is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.49 Å. N3- is bonded in a distorted single-bond geometry to five Ce4+ and one B atom.},

  doi          = {10.17188/1207119},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207119

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