Materials Data on TmAsO4 by Materials Project

doi:10.17188/1290552

Title: Materials Data on TmAsO4 by Materials Project

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Abstract

TmAsO4 is Zircon-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.30–2.48 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.72 Å) and one longer (1.73 Å) As–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one As5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one As5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tm3+ and one As5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-756550

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; TmAsO4; As-O-Tm

OSTI Identifier:: 1290552

DOI:: https://doi.org/10.17188/1290552

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                    The Materials Project. Materials Data on TmAsO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290552.

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                    The Materials Project. Materials Data on TmAsO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290552

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                    The Materials Project. 2020.  
"Materials Data on TmAsO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290552.  https://www.osti.gov/servlets/purl/1290552. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1290552,

  title        = {Materials Data on TmAsO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TmAsO4 is Zircon-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.30–2.48 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.72 Å) and one longer (1.73 Å) As–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one As5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one As5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tm3+ and one As5+ atom.},

  doi          = {10.17188/1290552},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1290552

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