Materials Data on Tm2O3 by Materials Project

doi:10.17188/1189362

Title: Materials Data on Tm2O3 by Materials Project

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Abstract

Tm2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tm–O bond distances ranging from 2.17–2.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Tm3+ atoms to form OTm4 tetrahedra that share corners with six equivalent OTm6 octahedra, corners with six equivalent OTm4 tetrahedra, edges with three equivalent OTm6 octahedra, and edges with three equivalent OTm4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–55°. In the second O2- site, O2- is bonded to six equivalent Tm3+ atoms to form OTm6 octahedra that share corners with twelve equivalent OTm4 tetrahedra, edges with six equivalent OTm6 octahedra, and edges with six equivalent OTm4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-13067

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:: 1189362

DOI:: https://doi.org/10.17188/1189362

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                    The Materials Project. Materials Data on Tm2O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189362.

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                    The Materials Project. Materials Data on Tm2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189362

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                    The Materials Project. 2020.  
"Materials Data on Tm2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189362.  https://www.osti.gov/servlets/purl/1189362. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1189362,

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

  author       = {The Materials Project},

  abstractNote = {Tm2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tm–O bond distances ranging from 2.17–2.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Tm3+ atoms to form OTm4 tetrahedra that share corners with six equivalent OTm6 octahedra, corners with six equivalent OTm4 tetrahedra, edges with three equivalent OTm6 octahedra, and edges with three equivalent OTm4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–55°. In the second O2- site, O2- is bonded to six equivalent Tm3+ atoms to form OTm6 octahedra that share corners with twelve equivalent OTm4 tetrahedra, edges with six equivalent OTm6 octahedra, and edges with six equivalent OTm4 tetrahedra.},

  doi          = {10.17188/1189362},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189362

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