Materials Data on Ce15B8N25 by Materials Project

doi:10.17188/1202486

Title: Materials Data on Ce15B8N25 by Materials Project

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Abstract

Ce15B8N25 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are three inequivalent Ce+3.40+ sites. In the first Ce+3.40+ site, Ce+3.40+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of Ce–N bond distances ranging from 2.29–2.97 Å. In the second Ce+3.40+ site, Ce+3.40+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Ce–N bond distances ranging from 2.27–2.82 Å. In the third Ce+3.40+ site, Ce+3.40+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Ce–N bond distances ranging from 2.40–2.75 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All B–N bond lengths are 1.46 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.46–1.49 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to five Ce+3.40+ and one B3+ atom. In the second N3- site, N3- is bonded in an octahedral geometry tomore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-28370

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; Ce15B8N25; B-Ce-N

OSTI Identifier:: 1202486

DOI:: https://doi.org/10.17188/1202486

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                    The Materials Project. Materials Data on Ce15B8N25 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202486.

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                    The Materials Project. Materials Data on Ce15B8N25 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202486

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                    The Materials Project. 2020.  
"Materials Data on Ce15B8N25 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202486.  https://www.osti.gov/servlets/purl/1202486. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1202486,

  title        = {Materials Data on Ce15B8N25 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce15B8N25 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are three inequivalent Ce+3.40+ sites. In the first Ce+3.40+ site, Ce+3.40+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of Ce–N bond distances ranging from 2.29–2.97 Å. In the second Ce+3.40+ site, Ce+3.40+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Ce–N bond distances ranging from 2.27–2.82 Å. In the third Ce+3.40+ site, Ce+3.40+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Ce–N bond distances ranging from 2.40–2.75 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All B–N bond lengths are 1.46 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.46–1.49 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to five Ce+3.40+ and one B3+ atom. In the second N3- site, N3- is bonded in an octahedral geometry to six equivalent Ce+3.40+ atoms. In the third N3- site, N3- is bonded in a distorted single-bond geometry to five Ce+3.40+ and one B3+ atom. In the fourth N3- site, N3- is bonded in a 1-coordinate geometry to five Ce+3.40+ and one B3+ atom. In the fifth N3- site, N3- is bonded in a distorted single-bond geometry to five Ce+3.40+ and one B3+ atom.},

  doi          = {10.17188/1202486},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202486

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