Materials Data on Be(HO)2 by Materials Project

doi:10.17188/1278482

Title: Materials Data on Be(HO)2 by Materials Project

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Abstract

Be(OH)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Be2+ is bonded to four O2- atoms to form corner-sharing BeO4 tetrahedra. There is two shorter (1.64 Å) and two longer (1.65 Å) Be–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Be2+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Be2+ and one H1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-625837

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; Be(HO)2; Be-H-O

OSTI Identifier:: 1278482

DOI:: https://doi.org/10.17188/1278482

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                    The Materials Project. Materials Data on Be(HO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278482.

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                    The Materials Project. Materials Data on Be(HO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278482

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                    The Materials Project. 2020.  
"Materials Data on Be(HO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278482.  https://www.osti.gov/servlets/purl/1278482. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1278482,

  title        = {Materials Data on Be(HO)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Be(OH)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Be2+ is bonded to four O2- atoms to form corner-sharing BeO4 tetrahedra. There is two shorter (1.64 Å) and two longer (1.65 Å) Be–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Be2+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Be2+ and one H1+ atom.},

  doi          = {10.17188/1278482},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1278482

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