Materials Data on H3O2 by Materials Project

doi:10.17188/1722109

Title: Materials Data on H3O2 by Materials Project

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Abstract

H3O2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight water water molecules. there are three inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the second H site, H is bonded in a distorted linear geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.64 Å) H–O bond length. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one H atom. In the second O site, O is bonded in a distorted water-like geometry to three H atoms.

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1212478

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; H3O2; H-O

OSTI Identifier:: 1722109

DOI:: https://doi.org/10.17188/1722109

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                    The Materials Project. Materials Data on H3O2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1722109.

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                    The Materials Project. Materials Data on H3O2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1722109

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                    The Materials Project. 2019.  
"Materials Data on H3O2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1722109.  https://www.osti.gov/servlets/purl/1722109. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1722109,

  title        = {Materials Data on H3O2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {H3O2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight water water molecules. there are three inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the second H site, H is bonded in a distorted linear geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.64 Å) H–O bond length. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one H atom. In the second O site, O is bonded in a distorted water-like geometry to three H atoms.},

  doi          = {10.17188/1722109},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1722109

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