Materials Data on Ba2In by Materials Project

doi:10.17188/1754946

Title: Materials Data on Ba2In by Materials Project

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Abstract

Ba2In is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 3-coordinate geometry to three equivalent In atoms. There are one shorter (3.73 Å) and two longer (3.79 Å) Ba–In bond lengths. In the second Ba site, Ba is bonded to four equivalent In atoms to form a mixture of distorted edge and corner-sharing BaIn4 tetrahedra. There are a spread of Ba–In bond distances ranging from 3.61–3.68 Å. In is bonded in a 7-coordinate geometry to seven Ba atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1102396

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; Ba2In; Ba-In

OSTI Identifier:: 1754946

DOI:: https://doi.org/10.17188/1754946

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                    The Materials Project. Materials Data on Ba2In by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1754946.

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                    The Materials Project. Materials Data on Ba2In by Materials Project.  United States.  doi:https://doi.org/10.17188/1754946

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                    The Materials Project. 2020.  
"Materials Data on Ba2In by Materials Project".  United States.  doi:https://doi.org/10.17188/1754946.  https://www.osti.gov/servlets/purl/1754946. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1754946,

  title        = {Materials Data on Ba2In by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2In is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 3-coordinate geometry to three equivalent In atoms. There are one shorter (3.73 Å) and two longer (3.79 Å) Ba–In bond lengths. In the second Ba site, Ba is bonded to four equivalent In atoms to form a mixture of distorted edge and corner-sharing BaIn4 tetrahedra. There are a spread of Ba–In bond distances ranging from 3.61–3.68 Å. In is bonded in a 7-coordinate geometry to seven Ba atoms.},

  doi          = {10.17188/1754946},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1754946

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