Materials Data on RbGaH2 by Materials Project

doi:10.17188/1314613

Title: Materials Data on RbGaH2 by Materials Project

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Abstract

RbGaH2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight H atoms. There are a spread of Rb–H bond distances ranging from 2.94–3.17 Å. Ga is bonded in a distorted water-like geometry to two H atoms. There is one shorter (1.67 Å) and one longer (1.69 Å) Ga–H bond length. There are two inequivalent H sites. In the first H site, H is bonded in a 1-coordinate geometry to four equivalent Rb and one Ga atom. In the second H site, H is bonded in a distorted single-bond geometry to four equivalent Rb and one Ga atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-974682

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; RbGaH2; Ga-H-Rb

OSTI Identifier:: 1314613

DOI:: https://doi.org/10.17188/1314613

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                    The Materials Project. Materials Data on RbGaH2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314613.

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                    The Materials Project. Materials Data on RbGaH2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314613

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                    The Materials Project. 2020.  
"Materials Data on RbGaH2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314613.  https://www.osti.gov/servlets/purl/1314613. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1314613,

  title        = {Materials Data on RbGaH2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbGaH2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight H atoms. There are a spread of Rb–H bond distances ranging from 2.94–3.17 Å. Ga is bonded in a distorted water-like geometry to two H atoms. There is one shorter (1.67 Å) and one longer (1.69 Å) Ga–H bond length. There are two inequivalent H sites. In the first H site, H is bonded in a 1-coordinate geometry to four equivalent Rb and one Ga atom. In the second H site, H is bonded in a distorted single-bond geometry to four equivalent Rb and one Ga atom.},

  doi          = {10.17188/1314613},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1314613

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