Materials Data on Ba10Ga by Materials Project

doi:10.17188/1204840

Title: Materials Data on Ba10Ga by Materials Project

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Abstract

Ba10Ga crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in a distorted linear geometry to two equivalent Ga atoms. Both Ba–Ga bond lengths are 3.86 Å. In the second Ba site, Ba is bonded in a 1-coordinate geometry to two equivalent Ba and one Ga atom. Both Ba–Ba bond lengths are 4.76 Å. The Ba–Ga bond length is 4.03 Å. In the third Ba site, Ba is bonded to twelve equivalent Ba atoms to form BaBa12 cuboctahedra that share edges with six equivalent BaBa12 cuboctahedra and edges with six equivalent GaBa12 cuboctahedra. Ga is bonded to twelve Ba atoms to form GaBa12 cuboctahedra that share corners with six equivalent GaBa12 cuboctahedra and edges with six equivalent BaBa12 cuboctahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-30430

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; Ba10Ga; Ba-Ga

OSTI Identifier:: 1204840

DOI:: https://doi.org/10.17188/1204840

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                    The Materials Project. Materials Data on Ba10Ga by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204840.

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                    The Materials Project. Materials Data on Ba10Ga by Materials Project.  United States.  doi:https://doi.org/10.17188/1204840

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                    The Materials Project. 2020.  
"Materials Data on Ba10Ga by Materials Project".  United States.  doi:https://doi.org/10.17188/1204840.  https://www.osti.gov/servlets/purl/1204840. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1204840,

  title        = {Materials Data on Ba10Ga by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba10Ga crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in a distorted linear geometry to two equivalent Ga atoms. Both Ba–Ga bond lengths are 3.86 Å. In the second Ba site, Ba is bonded in a 1-coordinate geometry to two equivalent Ba and one Ga atom. Both Ba–Ba bond lengths are 4.76 Å. The Ba–Ga bond length is 4.03 Å. In the third Ba site, Ba is bonded to twelve equivalent Ba atoms to form BaBa12 cuboctahedra that share edges with six equivalent BaBa12 cuboctahedra and edges with six equivalent GaBa12 cuboctahedra. Ga is bonded to twelve Ba atoms to form GaBa12 cuboctahedra that share corners with six equivalent GaBa12 cuboctahedra and edges with six equivalent BaBa12 cuboctahedra.},

  doi          = {10.17188/1204840},

  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/10.17188/1204840

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