Materials Data on Ba6In5N by Materials Project

doi:10.17188/1281836

Title: Materials Data on Ba6In5N by Materials Project

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Abstract

Ba6In5N crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba is bonded in a distorted single-bond geometry to five In and one N atom. There are a spread of Ba–In bond distances ranging from 3.58–3.90 Å. The Ba–N bond length is 2.81 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six equivalent Ba and four In atoms. There are two shorter (3.11 Å) and two longer (3.12 Å) In–In bond lengths. In the second In site, In is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent In atoms. N is bonded in an octahedral geometry to six equivalent Ba atoms.

Authors:: The Materials Project

Publication Date:: Thu May 11 00:00:00 EDT 2017

Other Number(s):: mp-672306

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; Ba6In5N; Ba-In-N

OSTI Identifier:: 1281836

DOI:: https://doi.org/10.17188/1281836

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                    The Materials Project. Materials Data on Ba6In5N by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1281836.

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                    The Materials Project. Materials Data on Ba6In5N by Materials Project.  United States.  doi:https://doi.org/10.17188/1281836

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                    The Materials Project. 2017.  
"Materials Data on Ba6In5N by Materials Project".  United States.  doi:https://doi.org/10.17188/1281836.  https://www.osti.gov/servlets/purl/1281836. Pub date:Thu May 11 00:00:00 EDT 2017

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@article{osti_1281836,

  title        = {Materials Data on Ba6In5N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba6In5N crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba is bonded in a distorted single-bond geometry to five In and one N atom. There are a spread of Ba–In bond distances ranging from 3.58–3.90 Å. The Ba–N bond length is 2.81 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six equivalent Ba and four In atoms. There are two shorter (3.11 Å) and two longer (3.12 Å) In–In bond lengths. In the second In site, In is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent In atoms. N is bonded in an octahedral geometry to six equivalent Ba atoms.},

  doi          = {10.17188/1281836},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu May 11 00:00:00 EDT 2017},

  month        = {Thu May 11 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1281836

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