Materials Data on Tl(C2O5)2 by Materials Project

doi:10.17188/1655402

Title: Materials Data on Tl(C2O5)2 by Materials Project

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Abstract

TlO2(CO2)4 is Cyanogen Chloride-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eight carbon dioxide molecules and two TlO2 clusters. In each TlO2 cluster, Tl is bonded in a 1-coordinate geometry to two O atoms. There are one shorter (2.43 Å) and one longer (2.52 Å) Tl–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Tl and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a distorted L-shaped geometry to one Tl and one O atom.

Publication Date:: Wed Jul 15 04:00:00 UTC 2020

Other Number(s):: mp-1179261

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-O-Tl; Tl(C2O5)2; crystal structure

OSTI Identifier:: 1655402

DOI:: https://doi.org/10.17188/1655402

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                    Materials Data on Tl(C2O5)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1655402.

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                    Materials Data on Tl(C2O5)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1655402

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                    2020.  
"Materials Data on Tl(C2O5)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1655402.  https://www.osti.gov/servlets/purl/1655402. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1655402,

  title        = {Materials Data on Tl(C2O5)2 by Materials Project},

  
  abstractNote = {TlO2(CO2)4 is Cyanogen Chloride-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eight carbon dioxide molecules and two TlO2 clusters. In each TlO2 cluster, Tl is bonded in a 1-coordinate geometry to two O atoms. There are one shorter (2.43 Å) and one longer (2.52 Å) Tl–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Tl and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a distorted L-shaped geometry to one Tl and one O atom.},

  doi          = {10.17188/1655402},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 04:00:00 UTC 2020},

  month        = {Wed Jul 15 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1655402

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