Materials Data on SrGaH4 by Materials Project

doi:10.17188/1263065

Title: Materials Data on SrGaH4 by Materials Project

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Abstract

SrGaH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten H1- atoms. There are a spread of Sr–H bond distances ranging from 2.45–2.72 Å. Ga2+ is bonded in a rectangular see-saw-like geometry to four H1- atoms. There is two shorter (1.65 Å) and two longer (1.80 Å) Ga–H bond length. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr2+ and one Ga2+ atom. In the second H1- site, H1- is bonded to three equivalent Sr2+ and one Ga2+ atom to form a mixture of distorted edge and corner-sharing HSr3Ga trigonal pyramids. In the third H1- site, H1- is bonded to three equivalent Sr2+ and one Ga2+ atom to form a mixture of distorted edge and corner-sharing HSr3Ga tetrahedra.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-510719

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; SrGaH4; Ga-H-Sr

OSTI Identifier:: 1263065

DOI:: https://doi.org/10.17188/1263065

Citation Formats


                    The Materials Project. Materials Data on SrGaH4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263065.

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                    The Materials Project. Materials Data on SrGaH4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1263065

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                    The Materials Project. 2020.  
"Materials Data on SrGaH4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1263065.  https://www.osti.gov/servlets/purl/1263065. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1263065,

  title        = {Materials Data on SrGaH4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrGaH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten H1- atoms. There are a spread of Sr–H bond distances ranging from 2.45–2.72 Å. Ga2+ is bonded in a rectangular see-saw-like geometry to four H1- atoms. There is two shorter (1.65 Å) and two longer (1.80 Å) Ga–H bond length. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr2+ and one Ga2+ atom. In the second H1- site, H1- is bonded to three equivalent Sr2+ and one Ga2+ atom to form a mixture of distorted edge and corner-sharing HSr3Ga trigonal pyramids. In the third H1- site, H1- is bonded to three equivalent Sr2+ and one Ga2+ atom to form a mixture of distorted edge and corner-sharing HSr3Ga tetrahedra.},

  doi          = {10.17188/1263065},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1263065

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