Materials Data on BaGe6 by Materials Project

doi:10.17188/1748602

Title: Materials Data on BaGe6 by Materials Project

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Abstract

BaGe6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 4-coordinate geometry to eighteen Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.38–3.81 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.55–2.64 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. There are one shorter (2.58 Å) and two longer (2.60 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. The Ge–Ge bond length is 2.57 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1103747

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; BaGe6; Ba-Ge

OSTI Identifier:: 1748602

DOI:: https://doi.org/10.17188/1748602

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                    The Materials Project. Materials Data on BaGe6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748602.

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                    The Materials Project. Materials Data on BaGe6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1748602

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                    The Materials Project. 2020.  
"Materials Data on BaGe6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1748602.  https://www.osti.gov/servlets/purl/1748602. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1748602,

  title        = {Materials Data on BaGe6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaGe6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 4-coordinate geometry to eighteen Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.38–3.81 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.55–2.64 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. There are one shorter (2.58 Å) and two longer (2.60 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. The Ge–Ge bond length is 2.57 Å.},

  doi          = {10.17188/1748602},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1748602

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