Materials Data on BaAlGeH by Materials Project

doi:10.17188/1687334

Title: Materials Data on BaAlGeH by Materials Project

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Abstract

BaAlGeH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ba is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ge and three equivalent H atoms. All Ba–Ge bond lengths are 3.48 Å. All Ba–H bond lengths are 2.62 Å. Al is bonded in a distorted single-bond geometry to three equivalent Ge and one H atom. All Al–Ge bond lengths are 2.57 Å. The Al–H bond length is 1.74 Å. Ge is bonded in a 3-coordinate geometry to three equivalent Ba and three equivalent Al atoms. H is bonded to three equivalent Ba and one Al atom to form corner-sharing HBa3Al tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1207108

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; BaAlGeH; Al-Ba-Ge-H

OSTI Identifier:: 1687334

DOI:: https://doi.org/10.17188/1687334

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                    The Materials Project. Materials Data on BaAlGeH by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1687334.

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                    The Materials Project. Materials Data on BaAlGeH by Materials Project.  United States.  doi:https://doi.org/10.17188/1687334

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                    The Materials Project. 2020.  
"Materials Data on BaAlGeH by Materials Project".  United States.  doi:https://doi.org/10.17188/1687334.  https://www.osti.gov/servlets/purl/1687334. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1687334,

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

  author       = {The Materials Project},

  abstractNote = {BaAlGeH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ba is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ge and three equivalent H atoms. All Ba–Ge bond lengths are 3.48 Å. All Ba–H bond lengths are 2.62 Å. Al is bonded in a distorted single-bond geometry to three equivalent Ge and one H atom. All Al–Ge bond lengths are 2.57 Å. The Al–H bond length is 1.74 Å. Ge is bonded in a 3-coordinate geometry to three equivalent Ba and three equivalent Al atoms. H is bonded to three equivalent Ba and one Al atom to form corner-sharing HBa3Al tetrahedra.},

  doi          = {10.17188/1687334},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1687334

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