Materials Data on BeH2 by Materials Project

doi:10.17188/1298260

Title: Materials Data on BeH2 by Materials Project

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Abstract

BeH2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four equivalent H1- atoms to form corner-sharing BeH4 tetrahedra. All Be–H bond lengths are 1.43 Å. In the second Be2+ site, Be2+ is bonded to four H1- atoms to form corner-sharing BeH4 tetrahedra. There is three shorter (1.43 Å) and one longer (1.44 Å) Be–H bond length. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a bent 120 degrees geometry to two equivalent Be2+ atoms. In the second H1- site, H1- is bonded in a bent 120 degrees geometry to two Be2+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-768203

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; BeH2; Be-H

OSTI Identifier:: 1298260

DOI:: https://doi.org/10.17188/1298260

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                    The Materials Project. Materials Data on BeH2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1298260.

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                    The Materials Project. Materials Data on BeH2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1298260

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                    The Materials Project. 2020.  
"Materials Data on BeH2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1298260.  https://www.osti.gov/servlets/purl/1298260. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1298260,

  title        = {Materials Data on BeH2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BeH2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four equivalent H1- atoms to form corner-sharing BeH4 tetrahedra. All Be–H bond lengths are 1.43 Å. In the second Be2+ site, Be2+ is bonded to four H1- atoms to form corner-sharing BeH4 tetrahedra. There is three shorter (1.43 Å) and one longer (1.44 Å) Be–H bond length. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a bent 120 degrees geometry to two equivalent Be2+ atoms. In the second H1- site, H1- is bonded in a bent 120 degrees geometry to two Be2+ atoms.},

  doi          = {10.17188/1298260},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1298260

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