Materials Data on Ba2Ge by Materials Project

doi:10.17188/1189814

Title: Materials Data on Ba2Ge by Materials Project

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Abstract

Ba2Ge is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Ge atoms to form a mixture of edge and corner-sharing BaGe4 tetrahedra. There are a spread of Ba–Ge bond distances ranging from 3.36–3.44 Å. In the second Ba site, Ba is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ge atoms. There are one shorter (3.40 Å) and two longer (3.64 Å) Ba–Ge bond lengths. Ge is bonded in a 7-coordinate geometry to seven Ba atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-13922

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; Ba2Ge; Ba-Ge

OSTI Identifier:: 1189814

DOI:: https://doi.org/10.17188/1189814

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                    The Materials Project. Materials Data on Ba2Ge by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189814.

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                    The Materials Project. Materials Data on Ba2Ge by Materials Project.  United States.  doi:https://doi.org/10.17188/1189814

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                    The Materials Project. 2020.  
"Materials Data on Ba2Ge by Materials Project".  United States.  doi:https://doi.org/10.17188/1189814.  https://www.osti.gov/servlets/purl/1189814. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1189814,

  title        = {Materials Data on Ba2Ge by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2Ge is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Ge atoms to form a mixture of edge and corner-sharing BaGe4 tetrahedra. There are a spread of Ba–Ge bond distances ranging from 3.36–3.44 Å. In the second Ba site, Ba is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ge atoms. There are one shorter (3.40 Å) and two longer (3.64 Å) Ba–Ge bond lengths. Ge is bonded in a 7-coordinate geometry to seven Ba atoms.},

  doi          = {10.17188/1189814},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189814

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