Materials Data on Ba8Ga7 by Materials Project

doi:10.17188/1204838

Title: Materials Data on Ba8Ga7 by Materials Project

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Abstract

Ba8Ga7 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are four inequivalent Ba sites. In the first Ba site, Ba is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.55 Å) and three longer (3.57 Å) Ba–Ga bond lengths. In the second Ba site, Ba is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.59 Å) and three longer (3.64 Å) Ba–Ga bond lengths. In the third Ba site, Ba is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Ba–Ga bond distances ranging from 3.42–3.70 Å. In the fourth Ba site, Ba is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Ba–Ga bond distances ranging from 3.43–3.69 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Ba and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.79 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Ba and three Ga atoms. Both Ga–Ga bond lengths are 2.72 Å. In the third Ga site, Ga ismore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-30429

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; Ba8Ga7; Ba-Ga

OSTI Identifier:: 1204838

DOI:: https://doi.org/10.17188/1204838

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                    The Materials Project. Materials Data on Ba8Ga7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204838.

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                    The Materials Project. Materials Data on Ba8Ga7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204838

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                    The Materials Project. 2020.  
"Materials Data on Ba8Ga7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204838.  https://www.osti.gov/servlets/purl/1204838. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1204838,

  title        = {Materials Data on Ba8Ga7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba8Ga7 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are four inequivalent Ba sites. In the first Ba site, Ba is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.55 Å) and three longer (3.57 Å) Ba–Ga bond lengths. In the second Ba site, Ba is bonded in a 6-coordinate geometry to six Ga atoms. There are three shorter (3.59 Å) and three longer (3.64 Å) Ba–Ga bond lengths. In the third Ba site, Ba is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Ba–Ga bond distances ranging from 3.42–3.70 Å. In the fourth Ba site, Ba is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Ba–Ga bond distances ranging from 3.43–3.69 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Ba and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.79 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Ba and three Ga atoms. Both Ga–Ga bond lengths are 2.72 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to seven Ba and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.67 Å.},

  doi          = {10.17188/1204838},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204838

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