Materials Data on Tl(CuO)2 by Materials Project

doi:10.17188/1202367

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

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Abstract

Tl(CuO)2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Cu+1.50+ sites. In the first Cu+1.50+ site, Cu+1.50+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.98 Å. In the second Cu+1.50+ site, Cu+1.50+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.83 Å. Tl1+ is bonded in an L-shaped geometry to two equivalent O2- atoms. Both Tl–O bond lengths are 2.48 Å. O2- is bonded in a 4-coordinate geometry to three Cu+1.50+ and one Tl1+ atom.

Publication Date:: 2020-07-16

Other Number(s):: mp-28235

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; Cu-O-Tl; Tl(CuO)2; crystal structure

OSTI Identifier:: 1202367

DOI:: https://doi.org/10.17188/1202367

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                    Materials Data on Tl(CuO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202367.

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                    Materials Data on Tl(CuO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202367

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                    2020.  
"Materials Data on Tl(CuO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202367.  https://www.osti.gov/servlets/purl/1202367. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1202367,

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

  
  abstractNote = {Tl(CuO)2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Cu+1.50+ sites. In the first Cu+1.50+ site, Cu+1.50+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.98 Å. In the second Cu+1.50+ site, Cu+1.50+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.83 Å. Tl1+ is bonded in an L-shaped geometry to two equivalent O2- atoms. Both Tl–O bond lengths are 2.48 Å. O2- is bonded in a 4-coordinate geometry to three Cu+1.50+ and one Tl1+ atom.},

  doi          = {10.17188/1202367},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1202367

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