Materials Data on Rb2H2C2O5 by Materials Project

doi:10.17188/1314608

Title: Materials Data on Rb2H2C2O5 by Materials Project

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Abstract

Rb2C2H2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to two equivalent H1+ and eight O2- atoms. There are one shorter (3.09 Å) and one longer (3.18 Å) Rb–H bond lengths. There are a spread of Rb–O bond distances ranging from 2.96–3.22 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. H1+ is bonded in a single-bond geometry to two equivalent Rb1+ and one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one C3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to four equivalent Rb1+ and one C3+ atom. In the third O2- site, O2- is bonded in a water-like geometry to two equivalent Rb1+ and two equivalent H1+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-974667

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; Rb2H2C2O5; C-H-O-Rb

OSTI Identifier:: 1314608

DOI:: https://doi.org/10.17188/1314608

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                    The Materials Project. Materials Data on Rb2H2C2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314608.

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                    The Materials Project. Materials Data on Rb2H2C2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314608

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                    The Materials Project. 2020.  
"Materials Data on Rb2H2C2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314608.  https://www.osti.gov/servlets/purl/1314608. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1314608,

  title        = {Materials Data on Rb2H2C2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2C2H2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to two equivalent H1+ and eight O2- atoms. There are one shorter (3.09 Å) and one longer (3.18 Å) Rb–H bond lengths. There are a spread of Rb–O bond distances ranging from 2.96–3.22 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. H1+ is bonded in a single-bond geometry to two equivalent Rb1+ and one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one C3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to four equivalent Rb1+ and one C3+ atom. In the third O2- site, O2- is bonded in a water-like geometry to two equivalent Rb1+ and two equivalent H1+ atoms.},

  doi          = {10.17188/1314608},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1314608

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