Materials Data on TmHO2 by Materials Project

doi:10.17188/1298415

Title: Materials Data on TmHO2 by Materials Project

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Abstract

TmOOH crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 54–58°. There are a spread of Tm–O bond distances ranging from 2.18–2.36 Å. H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.63 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Tm3+ and one H1+ atom to form a mixture of distorted edge and corner-sharing OTm3H tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Tm3+ and one H1+ atom.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-768422

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; TmHO2; H-O-Tm

OSTI Identifier:: 1298415

DOI:: https://doi.org/10.17188/1298415

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                    The Materials Project. Materials Data on TmHO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1298415.

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                    The Materials Project. Materials Data on TmHO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1298415

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                    The Materials Project. 2020.  
"Materials Data on TmHO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1298415.  https://www.osti.gov/servlets/purl/1298415. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1298415,

  title        = {Materials Data on TmHO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TmOOH crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 54–58°. There are a spread of Tm–O bond distances ranging from 2.18–2.36 Å. H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.63 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Tm3+ and one H1+ atom to form a mixture of distorted edge and corner-sharing OTm3H tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Tm3+ and one H1+ atom.},

  doi          = {10.17188/1298415},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1298415

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