Materials Data on Ba5Ga6 by Materials Project

doi:10.17188/1744040

Title: Materials Data on Ba5Ga6 by Materials Project

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Abstract

Ba5Ga6 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are four inequivalent Ba sites. In the first Ba site, Ba is bonded in a 4-coordinate geometry to four equivalent Ga atoms. There are two shorter (3.45 Å) and two longer (3.49 Å) Ba–Ga bond lengths. In the second Ba site, Ba is bonded in a 4-coordinate geometry to four equivalent Ga atoms. There are two shorter (3.46 Å) and two longer (3.52 Å) Ba–Ga bond lengths. In the third Ba site, Ba is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.42 Å) and three longer (3.47 Å) Ba–Ga bond lengths. In the fourth Ba site, Ba is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.45 Å) and three longer (3.47 Å) Ba–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to four Ba and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.78 Å. In the second Ga site, Ga is bonded in a 8-coordinate geometry to four Ba and four Ga atoms. Both Ga–Ga bond lengthsmore » are 2.73 Å.« less

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1228211

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; Ba5Ga6; Ba-Ga

OSTI Identifier:: 1744040

DOI:: https://doi.org/10.17188/1744040

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                    The Materials Project. Materials Data on Ba5Ga6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1744040.

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                    The Materials Project. Materials Data on Ba5Ga6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744040

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                    The Materials Project. 2019.  
"Materials Data on Ba5Ga6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744040.  https://www.osti.gov/servlets/purl/1744040. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1744040,

  title        = {Materials Data on Ba5Ga6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba5Ga6 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are four inequivalent Ba sites. In the first Ba site, Ba is bonded in a 4-coordinate geometry to four equivalent Ga atoms. There are two shorter (3.45 Å) and two longer (3.49 Å) Ba–Ga bond lengths. In the second Ba site, Ba is bonded in a 4-coordinate geometry to four equivalent Ga atoms. There are two shorter (3.46 Å) and two longer (3.52 Å) Ba–Ga bond lengths. In the third Ba site, Ba is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.42 Å) and three longer (3.47 Å) Ba–Ga bond lengths. In the fourth Ba site, Ba is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.45 Å) and three longer (3.47 Å) Ba–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to four Ba and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.78 Å. In the second Ga site, Ga is bonded in a 8-coordinate geometry to four Ba and four Ga atoms. Both Ga–Ga bond lengths are 2.73 Å.},

  doi          = {10.17188/1744040},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1744040

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