Materials Data on BaMg4Ge3 by Materials Project

doi:10.17188/1723092

Title: Materials Data on BaMg4Ge3 by Materials Project

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Abstract

BaMg4Ge3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Mg and eight equivalent Ge atoms. All Ba–Mg bond lengths are 3.66 Å. All Ba–Ge bond lengths are 3.56 Å. Mg is bonded to two equivalent Ba and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing MgBa2Ge4 tetrahedra. There are two shorter (2.78 Å) and two longer (2.83 Å) Mg–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ba, four equivalent Mg, and one Ge atom. The Ge–Ge bond length is 2.61 Å.

Authors:: The Materials Project

Publication Date:: 2020-04-26

Other Number(s):: mp-1078462

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; BaMg4Ge3; Ba-Ge-Mg

OSTI Identifier:: 1723092

DOI:: https://doi.org/10.17188/1723092

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                    The Materials Project. Materials Data on BaMg4Ge3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1723092.

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                    The Materials Project. Materials Data on BaMg4Ge3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1723092

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                    The Materials Project. 2020.  
"Materials Data on BaMg4Ge3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1723092.  https://www.osti.gov/servlets/purl/1723092. Pub date:Sun Apr 26 00:00:00 EDT 2020

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@article{osti_1723092,

  title        = {Materials Data on BaMg4Ge3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaMg4Ge3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Mg and eight equivalent Ge atoms. All Ba–Mg bond lengths are 3.66 Å. All Ba–Ge bond lengths are 3.56 Å. Mg is bonded to two equivalent Ba and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing MgBa2Ge4 tetrahedra. There are two shorter (2.78 Å) and two longer (2.83 Å) Mg–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ba, four equivalent Mg, and one Ge atom. The Ge–Ge bond length is 2.61 Å.},

  doi          = {10.17188/1723092},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1723092

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