Materials Data on GeH4 by Materials Project

doi:10.17188/1752522

Title: Materials Data on GeH4 by Materials Project

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Abstract

GeH4 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two hydrogen molecules and two GeH2 ribbons oriented in the (0, 0, 1) direction. In each GeH2 ribbon, Ge2+ is bonded in a bent 150 degrees geometry to two H+0.50- atoms. There are one shorter (2.17 Å) and one longer (2.18 Å) Ge–H bond lengths. There are two inequivalent H+0.50- sites. In the first H+0.50- site, H+0.50- is bonded in a single-bond geometry to one Ge2+ and one H+0.50- atom. The H–H bond length is 0.80 Å. In the second H+0.50- site, H+0.50- is bonded in a single-bond geometry to one Ge2+ and one H+0.50- atom.

Publication Date:: 2020-05-02

Other Number(s):: mp-1080617

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; crystal structure; Ge-H; GeH4

OSTI Identifier:: 1752522

DOI:: https://doi.org/10.17188/1752522

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                    Materials Data on GeH4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752522.

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                    Materials Data on GeH4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1752522

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                    2020.  
"Materials Data on GeH4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1752522.  https://www.osti.gov/servlets/purl/1752522. Pub date:Sat May 02 20:00:00 EDT 2020

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@article{osti_1752522,

  title        = {Materials Data on GeH4 by Materials Project},

  
  abstractNote = {GeH4 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two hydrogen molecules and two GeH2 ribbons oriented in the (0, 0, 1) direction. In each GeH2 ribbon, Ge2+ is bonded in a bent 150 degrees geometry to two H+0.50- atoms. There are one shorter (2.17 Å) and one longer (2.18 Å) Ge–H bond lengths. There are two inequivalent H+0.50- sites. In the first H+0.50- site, H+0.50- is bonded in a single-bond geometry to one Ge2+ and one H+0.50- atom. The H–H bond length is 0.80 Å. In the second H+0.50- site, H+0.50- is bonded in a single-bond geometry to one Ge2+ and one H+0.50- atom.},

  doi          = {10.17188/1752522},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1752522

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