Materials Data on Sr(H9O5)2 by Materials Project

doi:10.17188/1200029

Title: Materials Data on Sr(H9O5)2 by Materials Project

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Abstract

(SrH17O9)2H2O2 crystallizes in the tetragonal P4/ncc space group. The structure is two-dimensional and consists of four water molecules and two SrH17O9 sheets oriented in the (0, 0, 1) direction. In each SrH17O9 sheet, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.66 Å) and four longer (2.68 Å) Sr–O bond lengths. There are five 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 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.65 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2-more »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-24312

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; Sr(H9O5)2; H-O-Sr

OSTI Identifier:: 1200029

DOI:: https://doi.org/10.17188/1200029

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                    The Materials Project. Materials Data on Sr(H9O5)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200029.

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                    The Materials Project. Materials Data on Sr(H9O5)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1200029

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                    The Materials Project. 2020.  
"Materials Data on Sr(H9O5)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1200029.  https://www.osti.gov/servlets/purl/1200029. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1200029,

  title        = {Materials Data on Sr(H9O5)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(SrH17O9)2H2O2 crystallizes in the tetragonal P4/ncc space group. The structure is two-dimensional and consists of four water molecules and two SrH17O9 sheets oriented in the (0, 0, 1) direction. In each SrH17O9 sheet, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.66 Å) and four longer (2.68 Å) Sr–O bond lengths. There are five 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 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.65 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to five H1+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two H1+ atoms.},

  doi          = {10.17188/1200029},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1200029

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