Materials Data on Ba7Ge6 by Materials Project

doi:10.17188/1744068

Title: Materials Data on Ba7Ge6 by Materials Project

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Abstract

Ba7Ge6 crystallizes in the orthorhombic Pnma 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 Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.39–3.53 Å. In the second Ba site, Ba is bonded in a 6-coordinate geometry to seven Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.52–4.08 Å. In the third Ba site, Ba is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.42–3.81 Å. In the fourth Ba site, Ba is bonded in a 3-coordinate geometry to five Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.29–3.90 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Ba and one Ge atom. The Ge–Ge bond length is 2.63 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to seven Ba and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometrymore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1204965

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; Ba7Ge6; Ba-Ge

OSTI Identifier:: 1744068

DOI:: https://doi.org/10.17188/1744068

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                    The Materials Project. Materials Data on Ba7Ge6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744068.

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                    The Materials Project. Materials Data on Ba7Ge6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744068

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                    The Materials Project. 2020.  
"Materials Data on Ba7Ge6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744068.  https://www.osti.gov/servlets/purl/1744068. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1744068,

  title        = {Materials Data on Ba7Ge6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba7Ge6 crystallizes in the orthorhombic Pnma 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 Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.39–3.53 Å. In the second Ba site, Ba is bonded in a 6-coordinate geometry to seven Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.52–4.08 Å. In the third Ba site, Ba is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.42–3.81 Å. In the fourth Ba site, Ba is bonded in a 3-coordinate geometry to five Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.29–3.90 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Ba and one Ge atom. The Ge–Ge bond length is 2.63 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to seven Ba and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Ba and one Ge atom. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to seven Ba and two Ge atoms. The Ge–Ge bond length is 2.60 Å.},

  doi          = {10.17188/1744068},

  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/10.17188/1744068

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