Materials Data on CuCl3 by Materials Project

doi:10.17188/1698447

Title: Materials Data on CuCl3 by Materials Project

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Abstract

CuCl3 crystallizes in the orthorhombic Cmmm space group. The structure is one-dimensional and consists of eight CuCl3 ribbons oriented in the (0, 0, 1) direction. Cu3+ is bonded to four Cl1- atoms to form corner-sharing CuCl4 tetrahedra. There are two shorter (2.17 Å) and two longer (2.25 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu3+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Cu3+ atoms.

Publication Date:: 2019-01-11

Other Number(s):: mp-1213141

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; CuCl3; crystal structure

OSTI Identifier:: 1698447

DOI:: https://doi.org/10.17188/1698447

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                    Materials Data on CuCl3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1698447.

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                    Materials Data on CuCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698447

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                    2019.  
"Materials Data on CuCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698447.  https://www.osti.gov/servlets/purl/1698447. Pub date:Fri Jan 11 23:00:00 EST 2019

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@article{osti_1698447,

  title        = {Materials Data on CuCl3 by Materials Project},

  
  abstractNote = {CuCl3 crystallizes in the orthorhombic Cmmm space group. The structure is one-dimensional and consists of eight CuCl3 ribbons oriented in the (0, 0, 1) direction. Cu3+ is bonded to four Cl1- atoms to form corner-sharing CuCl4 tetrahedra. There are two shorter (2.17 Å) and two longer (2.25 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu3+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Cu3+ atoms.},

  doi          = {10.17188/1698447},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1698447

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