Materials Data on Ba3CrN3 by Materials Project

doi:10.17188/1189259

Title: Materials Data on Ba3CrN3 by Materials Project

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Abstract

Ba3CrN3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ba2+ is bonded in a 5-coordinate geometry to five equivalent N3- atoms. There are a spread of Ba–N bond distances ranging from 2.83–3.38 Å. Cr3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Cr–N bond lengths are 1.73 Å. N3- is bonded in a 1-coordinate geometry to five equivalent Ba2+ and one Cr3+ atom.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-12905

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; Ba3CrN3; Ba-Cr-N

OSTI Identifier:: 1189259

DOI:: https://doi.org/10.17188/1189259

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                    The Materials Project. Materials Data on Ba3CrN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189259.

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                    The Materials Project. Materials Data on Ba3CrN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189259

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                    The Materials Project. 2020.  
"Materials Data on Ba3CrN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189259.  https://www.osti.gov/servlets/purl/1189259. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1189259,

  title        = {Materials Data on Ba3CrN3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba3CrN3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ba2+ is bonded in a 5-coordinate geometry to five equivalent N3- atoms. There are a spread of Ba–N bond distances ranging from 2.83–3.38 Å. Cr3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Cr–N bond lengths are 1.73 Å. N3- is bonded in a 1-coordinate geometry to five equivalent Ba2+ and one Cr3+ atom.},

  doi          = {10.17188/1189259},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189259

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