Materials Data on TmBe13 by Materials Project

doi:10.17188/1714844

Title: Materials Data on TmBe13 by Materials Project

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Abstract

Be13Tm crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of face and corner-sharing BeBe12 cuboctahedra. All Be–Be bond lengths are 2.14 Å. In the second Be site, Be is bonded to ten Be and two equivalent Tm atoms to form distorted BeTm2Be10 cuboctahedra that share corners with twenty-eight BeBe12 cuboctahedra, edges with eight equivalent BeTm2Be10 cuboctahedra, and faces with twenty-five BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.20–2.32 Å. Both Be–Tm bond lengths are 2.97 Å. Tm is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1193090

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; TmBe13; Be-Tm

OSTI Identifier:: 1714844

DOI:: https://doi.org/10.17188/1714844

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                    The Materials Project. Materials Data on TmBe13 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1714844.

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                    The Materials Project. Materials Data on TmBe13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1714844

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                    The Materials Project. 2020.  
"Materials Data on TmBe13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1714844.  https://www.osti.gov/servlets/purl/1714844. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1714844,

  title        = {Materials Data on TmBe13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Be13Tm crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of face and corner-sharing BeBe12 cuboctahedra. All Be–Be bond lengths are 2.14 Å. In the second Be site, Be is bonded to ten Be and two equivalent Tm atoms to form distorted BeTm2Be10 cuboctahedra that share corners with twenty-eight BeBe12 cuboctahedra, edges with eight equivalent BeTm2Be10 cuboctahedra, and faces with twenty-five BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.20–2.32 Å. Both Be–Tm bond lengths are 2.97 Å. Tm is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms.},

  doi          = {10.17188/1714844},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1714844

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