Materials Data on CsH3O2 by Materials Project

doi:10.17188/1278663

Title: Materials Data on CsH3O2 by Materials Project

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Abstract

CsH3O2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve H1+ atoms. There are a spread of Cs–H bond distances ranging from 3.17–3.23 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to four equivalent Cs1+ and one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a linear geometry to four equivalent Cs1+ and two O2- atoms. There is one shorter (1.04 Å) and one longer (1.53 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent H1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-626417

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; CsH3O2; Cs-H-O

OSTI Identifier:: 1278663

DOI:: https://doi.org/10.17188/1278663

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                    The Materials Project. Materials Data on CsH3O2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278663.

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                    The Materials Project. Materials Data on CsH3O2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278663

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                    The Materials Project. 2020.  
"Materials Data on CsH3O2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278663.  https://www.osti.gov/servlets/purl/1278663. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1278663,

  title        = {Materials Data on CsH3O2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsH3O2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve H1+ atoms. There are a spread of Cs–H bond distances ranging from 3.17–3.23 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to four equivalent Cs1+ and one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a linear geometry to four equivalent Cs1+ and two O2- atoms. There is one shorter (1.04 Å) and one longer (1.53 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent H1+ atoms.},

  doi          = {10.17188/1278663},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1278663

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