Materials Data on CuH20C6(NCl2)2 by Materials Project

doi:10.17188/1738343

Title: Materials Data on CuH20C6(NCl2)2 by Materials Project

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Abstract

(C3H7NH3)2CuCl4 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight trimethylazanium molecules and four CuCl4 clusters. In each CuCl4 cluster, Cu2+ is bonded in a distorted trigonal pyramidal geometry to four Cl1- atoms. There are three shorter (2.27 Å) and one longer (2.28 Å) Cu–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom.

Publication Date:: 2020-04-29

Other Number(s):: mp-1199822

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; C-Cl-Cu-H-N; CuH20C6(NCl2)2; crystal structure

OSTI Identifier:: 1738343

DOI:: https://doi.org/10.17188/1738343

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                    Materials Data on CuH20C6(NCl2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738343.

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                    Materials Data on CuH20C6(NCl2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738343

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                    2020.  
"Materials Data on CuH20C6(NCl2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738343.  https://www.osti.gov/servlets/purl/1738343. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1738343,

  title        = {Materials Data on CuH20C6(NCl2)2 by Materials Project},

  
  abstractNote = {(C3H7NH3)2CuCl4 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight trimethylazanium molecules and four CuCl4 clusters. In each CuCl4 cluster, Cu2+ is bonded in a distorted trigonal pyramidal geometry to four Cl1- atoms. There are three shorter (2.27 Å) and one longer (2.28 Å) Cu–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom.},

  doi          = {10.17188/1738343},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1738343

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