Materials Data on Ba4Ge23 by Materials Project

doi:10.17188/1652778

Title: Materials Data on Ba4Ge23 by Materials Project

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Abstract

Ba4Ge23 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 twenty Ge atoms. There are eight shorter (3.56 Å) and twelve longer (3.67 Å) Ba–Ge bond lengths. In the second Ba site, Ba is bonded in a 12-coordinate geometry to twelve Ge atoms. There are eight shorter (3.76 Å) and four longer (3.94 Å) Ba–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to one Ba and four Ge atoms. There are one shorter (2.53 Å) and three longer (2.58 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Ba and four Ge atoms. There are one shorter (2.60 Å) and one longer (2.65 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded to four equivalent Ba and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing GeBa4Ge4 tetrahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-1214616

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; Ba4Ge23; Ba-Ge

OSTI Identifier:: 1652778

DOI:: https://doi.org/10.17188/1652778

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                    The Materials Project. Materials Data on Ba4Ge23 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652778.

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                    The Materials Project. Materials Data on Ba4Ge23 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652778

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                    The Materials Project. 2020.  
"Materials Data on Ba4Ge23 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652778.  https://www.osti.gov/servlets/purl/1652778. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1652778,

  title        = {Materials Data on Ba4Ge23 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba4Ge23 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 twenty Ge atoms. There are eight shorter (3.56 Å) and twelve longer (3.67 Å) Ba–Ge bond lengths. In the second Ba site, Ba is bonded in a 12-coordinate geometry to twelve Ge atoms. There are eight shorter (3.76 Å) and four longer (3.94 Å) Ba–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to one Ba and four Ge atoms. There are one shorter (2.53 Å) and three longer (2.58 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Ba and four Ge atoms. There are one shorter (2.60 Å) and one longer (2.65 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded to four equivalent Ba and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing GeBa4Ge4 tetrahedra.},

  doi          = {10.17188/1652778},

  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/10.17188/1652778

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