Materials Data on TlP by Materials Project

doi:10.17188/1324731

Title: Materials Data on TlP by Materials Project

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Abstract

TlP is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tl1+ is bonded to four equivalent P1- atoms to form corner-sharing TlP4 tetrahedra. All Tl–P bond lengths are 2.65 Å. P1- is bonded to four equivalent Tl1+ atoms to form corner-sharing PTl4 tetrahedra.

Publication Date:: 2020-07-14

Other Number(s):: mp-1007776

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; P-Tl; TlP; crystal structure

OSTI Identifier:: 1324731

DOI:: https://doi.org/10.17188/1324731

Citation Formats


                    Materials Data on TlP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1324731.

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                    Materials Data on TlP by Materials Project.  United States.  doi:https://doi.org/10.17188/1324731

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                    2020.  
"Materials Data on TlP by Materials Project".  United States.  doi:https://doi.org/10.17188/1324731.  https://www.osti.gov/servlets/purl/1324731. Pub date:Tue Jul 14 04:00:00 UTC 2020

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@article{osti_1324731,

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

  
  abstractNote = {TlP is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tl1+ is bonded to four equivalent P1- atoms to form corner-sharing TlP4 tetrahedra. All Tl–P bond lengths are 2.65 Å. P1- is bonded to four equivalent Tl1+ atoms to form corner-sharing PTl4 tetrahedra.},

  doi          = {10.17188/1324731},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1324731

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Materials Data on TlP by Materials Project

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TlH2PO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tl–O bond distances ranging from 2.90–3.44 Å. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.87–3.14 Å. In the third Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tl–O bond distances ranging frommore »« less

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