Materials Data on Ba2GeO4 by Materials Project

doi:10.17188/1288795

Title: Materials Data on Ba2GeO4 by Materials Project

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Abstract

Ba2GeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.71–3.31 Å. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.56–3.28 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.77–1.80 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Ba2+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Ba2+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Ba2+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to five Ba2+ and one Ge4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-752730

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; Ba2GeO4; Ba-Ge-O

OSTI Identifier:: 1288795

DOI:: https://doi.org/10.17188/1288795

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                    The Materials Project. Materials Data on Ba2GeO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288795.

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                    The Materials Project. Materials Data on Ba2GeO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288795

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                    The Materials Project. 2020.  
"Materials Data on Ba2GeO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288795.  https://www.osti.gov/servlets/purl/1288795. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1288795,

  title        = {Materials Data on Ba2GeO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2GeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.71–3.31 Å. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.56–3.28 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.77–1.80 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Ba2+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Ba2+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Ba2+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to five Ba2+ and one Ge4+ atom.},

  doi          = {10.17188/1288795},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1288795

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