Materials Data on BaGe2 by Materials Project

doi:10.17188/1196839

Title: Materials Data on BaGe2 by Materials Project

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Abstract

BaGe2 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 in a 11-coordinate geometry to eleven Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.51–3.93 Å. In the second Ba site, Ba is bonded in a 9-coordinate geometry to nine Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.43–3.67 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to five Ba and three Ge atoms. There are two shorter (2.58 Å) and one longer (2.59 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometry to five Ba and three Ge atoms. The Ge–Ge bond length is 2.63 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to five Ba and three Ge atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-2139

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; BaGe2; Ba-Ge

OSTI Identifier:: 1196839

DOI:: https://doi.org/10.17188/1196839

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                    The Materials Project. Materials Data on BaGe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196839.

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                    The Materials Project. Materials Data on BaGe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196839

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                    The Materials Project. 2020.  
"Materials Data on BaGe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196839.  https://www.osti.gov/servlets/purl/1196839. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1196839,

  title        = {Materials Data on BaGe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaGe2 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 in a 11-coordinate geometry to eleven Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.51–3.93 Å. In the second Ba site, Ba is bonded in a 9-coordinate geometry to nine Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.43–3.67 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to five Ba and three Ge atoms. There are two shorter (2.58 Å) and one longer (2.59 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometry to five Ba and three Ge atoms. The Ge–Ge bond length is 2.63 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to five Ba and three Ge atoms.},

  doi          = {10.17188/1196839},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1196839

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