Materials Data on Tl3PO4 by Materials Project

doi:10.17188/1275992

Title: Materials Data on Tl3PO4 by Materials Project

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Abstract

Tl3PO4 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.56–2.61 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.56 Å) and one longer (1.58 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted tetrahedral geometry to three equivalent Tl1+ and one P5+ atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-5709

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Tl3PO4; O-P-Tl

OSTI Identifier:: 1275992

DOI:: https://doi.org/10.17188/1275992

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                    The Materials Project. Materials Data on Tl3PO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275992.

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                    The Materials Project. Materials Data on Tl3PO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275992

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                    The Materials Project. 2020.  
"Materials Data on Tl3PO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275992.  https://www.osti.gov/servlets/purl/1275992. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1275992,

  title        = {Materials Data on Tl3PO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tl3PO4 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.56–2.61 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.56 Å) and one longer (1.58 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted tetrahedral geometry to three equivalent Tl1+ and one P5+ atom.},

  doi          = {10.17188/1275992},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1275992

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