Materials Data on CuHO2 by Materials Project

doi:10.17188/1317077

Title: Materials Data on CuHO2 by Materials Project

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Abstract

CuHO2 crystallizes in the orthorhombic Pmn2_1 space group. The structure is two-dimensional and consists of two CuHO2 sheets oriented in the (0, 0, 1) direction. Cu3+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.85 Å) and two longer (1.88 Å) Cu–O bond length. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.07 Å) and one longer (1.45 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu3+ and one H1+ atom.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-996956

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; CuHO2; Cu-H-O

OSTI Identifier:: 1317077

DOI:: https://doi.org/10.17188/1317077

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                    The Materials Project. Materials Data on CuHO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317077.

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                    The Materials Project. Materials Data on CuHO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317077

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                    The Materials Project. 2020.  
"Materials Data on CuHO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317077.  https://www.osti.gov/servlets/purl/1317077. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1317077,

  title        = {Materials Data on CuHO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuHO2 crystallizes in the orthorhombic Pmn2_1 space group. The structure is two-dimensional and consists of two CuHO2 sheets oriented in the (0, 0, 1) direction. Cu3+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.85 Å) and two longer (1.88 Å) Cu–O bond length. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.07 Å) and one longer (1.45 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu3+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu3+ and one H1+ atom.},

  doi          = {10.17188/1317077},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1317077

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