Materials Data on Tl3Ir(NO2)6 by Materials Project

doi:10.17188/1195262

Title: Materials Data on Tl3Ir(NO2)6 by Materials Project

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Abstract

IrTl(Tl(NO2)3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iridium molecules, four thallium molecules, and one Tl(NO2)3 framework. In the Tl(NO2)3 framework, Tl+1.67+ is bonded in a distorted q4 geometry to twelve equivalent O2- atoms. All Tl–O bond lengths are 2.77 Å. N+2.33+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All N–O bond lengths are 2.24 Å. O2- is bonded in a 5-coordinate geometry to two equivalent Tl+1.67+, two equivalent N+2.33+, and one O2- atom. The O–O bond length is 1.31 Å.

Publication Date:: 2020-07-18

Other Number(s):: mp-20116

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; Ir-N-O-Tl; Tl3Ir(NO2)6; crystal structure

OSTI Identifier:: 1195262

DOI:: https://doi.org/10.17188/1195262

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                    Materials Data on Tl3Ir(NO2)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195262.

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                    Materials Data on Tl3Ir(NO2)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195262

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                    2020.  
"Materials Data on Tl3Ir(NO2)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195262.  https://www.osti.gov/servlets/purl/1195262. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1195262,

  title        = {Materials Data on Tl3Ir(NO2)6 by Materials Project},

  
  abstractNote = {IrTl(Tl(NO2)3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four iridium molecules, four thallium molecules, and one Tl(NO2)3 framework. In the Tl(NO2)3 framework, Tl+1.67+ is bonded in a distorted q4 geometry to twelve equivalent O2- atoms. All Tl–O bond lengths are 2.77 Å. N+2.33+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All N–O bond lengths are 2.24 Å. O2- is bonded in a 5-coordinate geometry to two equivalent Tl+1.67+, two equivalent N+2.33+, and one O2- atom. The O–O bond length is 1.31 Å.},

  doi          = {10.17188/1195262},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1195262

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