Materials Data on Tm2O3 by Materials Project

doi:10.17188/1192617

Title: Materials Data on Tm2O3 by Materials Project

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Abstract

Tm2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing TmO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Tm–O bond lengths are 2.26 Å. In the second Tm3+ site, Tm3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Tm–O bond distances ranging from 2.22–2.31 Å. O2- is bonded to four Tm3+ atoms to form a mixture of distorted edge and corner-sharing OTm4 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-1767

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; Tm2O3; O-Tm

OSTI Identifier:: 1192617

DOI:: https://doi.org/10.17188/1192617

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                    The Materials Project. Materials Data on Tm2O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192617.

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                    The Materials Project. Materials Data on Tm2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192617

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                    The Materials Project. 2020.  
"Materials Data on Tm2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192617.  https://www.osti.gov/servlets/purl/1192617. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1192617,

  title        = {Materials Data on Tm2O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tm2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing TmO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Tm–O bond lengths are 2.26 Å. In the second Tm3+ site, Tm3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Tm–O bond distances ranging from 2.22–2.31 Å. O2- is bonded to four Tm3+ atoms to form a mixture of distorted edge and corner-sharing OTm4 trigonal pyramids.},

  doi          = {10.17188/1192617},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192617

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