Materials Data on Ba4Cu3Ge20 by Materials Project

doi:10.17188/1281656

Title: Materials Data on Ba4Cu3Ge20 by Materials Project

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Abstract

Ba4Cu3Ge20 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Ba–Ge bond lengths are 3.60 Å. In the second Ba site, Ba is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.43 Å) and twelve longer (3.66 Å) Ba–Ge bond lengths. Cu is bonded in a tetrahedral geometry to four equivalent Ge atoms. All Cu–Ge bond lengths are 2.44 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to three Ba, one Cu, and three Ge atoms. There are two shorter (2.55 Å) and one longer (2.58 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 5-coordinate geometry to one Ba and four Ge atoms. The Ge–Ge bond length is 2.51 Å.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-669542

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; Ba4Cu3Ge20; Ba-Cu-Ge

OSTI Identifier:: 1281656

DOI:: https://doi.org/10.17188/1281656

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                    The Materials Project. Materials Data on Ba4Cu3Ge20 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281656.

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                    The Materials Project. Materials Data on Ba4Cu3Ge20 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281656

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                    The Materials Project. 2020.  
"Materials Data on Ba4Cu3Ge20 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281656.  https://www.osti.gov/servlets/purl/1281656. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1281656,

  title        = {Materials Data on Ba4Cu3Ge20 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba4Cu3Ge20 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Ba–Ge bond lengths are 3.60 Å. In the second Ba site, Ba is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.43 Å) and twelve longer (3.66 Å) Ba–Ge bond lengths. Cu is bonded in a tetrahedral geometry to four equivalent Ge atoms. All Cu–Ge bond lengths are 2.44 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to three Ba, one Cu, and three Ge atoms. There are two shorter (2.55 Å) and one longer (2.58 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 5-coordinate geometry to one Ba and four Ge atoms. The Ge–Ge bond length is 2.51 Å.},

  doi          = {10.17188/1281656},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1281656

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