Materials Data on TmAl by Materials Project

doi:10.17188/1192119

Title: Materials Data on TmAl by Materials Project

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Abstract

TmAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Tm–Al bond distances ranging from 3.02–3.37 Å. In the second Tm site, Tm is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Tm–Al bond distances ranging from 3.02–3.51 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to eight Tm and four Al atoms to form a mixture of distorted edge, corner, and face-sharing AlTm8Al4 cuboctahedra. There are two shorter (2.72 Å) and two longer (2.78 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to eight Tm and two equivalent Al atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-16721

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; TmAl; Al-Tm

OSTI Identifier:: 1192119

DOI:: https://doi.org/10.17188/1192119

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                    The Materials Project. Materials Data on TmAl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192119.

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                    The Materials Project. Materials Data on TmAl by Materials Project.  United States.  doi:https://doi.org/10.17188/1192119

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                    The Materials Project. 2020.  
"Materials Data on TmAl by Materials Project".  United States.  doi:https://doi.org/10.17188/1192119.  https://www.osti.gov/servlets/purl/1192119. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1192119,

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

  author       = {The Materials Project},

  abstractNote = {TmAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Tm–Al bond distances ranging from 3.02–3.37 Å. In the second Tm site, Tm is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Tm–Al bond distances ranging from 3.02–3.51 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to eight Tm and four Al atoms to form a mixture of distorted edge, corner, and face-sharing AlTm8Al4 cuboctahedra. There are two shorter (2.72 Å) and two longer (2.78 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to eight Tm and two equivalent Al atoms.},

  doi          = {10.17188/1192119},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192119

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