Materials Data on Ba by Materials Project

doi:10.17188/1733077

Title: Materials Data on Ba by Materials Project

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Abstract

Ba crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 5-coordinate geometry to five Ba atoms. There are a spread of Ba–Ba bond distances ranging from 3.43–4.24 Å. In the second Ba site, Ba is bonded to five Ba atoms to form distorted corner-sharing BaBa5 trigonal bipyramids. Both Ba–Ba bond lengths are 3.30 Å.

Authors:: The Materials Project

Publication Date:: 2018-05-10

Other Number(s):: mp-1096835

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; Ba; Ba

OSTI Identifier:: 1733077

DOI:: https://doi.org/10.17188/1733077

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                    The Materials Project. Materials Data on Ba by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1733077.

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                    The Materials Project. Materials Data on Ba by Materials Project.  United States.  doi:https://doi.org/10.17188/1733077

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                    The Materials Project. 2018.  
"Materials Data on Ba by Materials Project".  United States.  doi:https://doi.org/10.17188/1733077.  https://www.osti.gov/servlets/purl/1733077. Pub date:Thu May 10 00:00:00 EDT 2018

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@article{osti_1733077,

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

  author       = {The Materials Project},

  abstractNote = {Ba crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 5-coordinate geometry to five Ba atoms. There are a spread of Ba–Ba bond distances ranging from 3.43–4.24 Å. In the second Ba site, Ba is bonded to five Ba atoms to form distorted corner-sharing BaBa5 trigonal bipyramids. Both Ba–Ba bond lengths are 3.30 Å.},

  doi          = {10.17188/1733077},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1733077

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