Materials Data on CuH4(ClO)2 by Materials Project

doi:10.17188/1199775

Title: Materials Data on CuH4(ClO)2 by Materials Project

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Abstract

CuH4(OCl)2 crystallizes in the orthorhombic Pmna space group. The structure is zero-dimensional and consists of two 10125-13-0 molecules. Cu2+ is bonded in a distorted square co-planar geometry to two equivalent O2- and two equivalent Cl1- atoms. Both Cu–O bond lengths are 1.94 Å. Both Cu–Cl bond lengths are 2.29 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent H1+ atoms. Cl1- is bonded in a distorted single-bond geometry to one Cu2+ atom.

Publication Date:: 2020-07-15

Other Number(s):: mp-23875

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cl-Cu-H-O; CuH4(ClO)2; crystal structure

OSTI Identifier:: 1199775

DOI:: https://doi.org/10.17188/1199775

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                    Materials Data on CuH4(ClO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199775.

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                    Materials Data on CuH4(ClO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199775

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                    2020.  
"Materials Data on CuH4(ClO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199775.  https://www.osti.gov/servlets/purl/1199775. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199775,

  title        = {Materials Data on CuH4(ClO)2 by Materials Project},

  
  abstractNote = {CuH4(OCl)2 crystallizes in the orthorhombic Pmna space group. The structure is zero-dimensional and consists of two 10125-13-0 molecules. Cu2+ is bonded in a distorted square co-planar geometry to two equivalent O2- and two equivalent Cl1- atoms. Both Cu–O bond lengths are 1.94 Å. Both Cu–Cl bond lengths are 2.29 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent H1+ atoms. Cl1- is bonded in a distorted single-bond geometry to one Cu2+ atom.},

  doi          = {10.17188/1199775},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199775

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