Materials Data on TmFeB4 by Materials Project

doi:10.17188/1655674

Title: Materials Data on TmFeB4 by Materials Project

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Abstract

TmFeB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Tm3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Tm–B bond distances ranging from 2.55–2.68 Å. Fe3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Fe–B bond distances ranging from 2.17–2.27 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Tm3+, four equivalent Fe3+, and three B+1.50- atoms. There is one shorter (1.68 Å) and two longer (1.71 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Fe3+, and three B+1.50- atoms. There is one shorter (1.77 Å) and one longer (1.79 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Fe3+, and three B+1.50- atoms. Both B–B bond lengths are 1.80 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Fe3+, and three B+1.50- atoms.

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-1207990

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; TmFeB4; B-Fe-Tm

OSTI Identifier:: 1655674

DOI:: https://doi.org/10.17188/1655674

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                    The Materials Project. Materials Data on TmFeB4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1655674.

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                    The Materials Project. Materials Data on TmFeB4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1655674

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                    The Materials Project. 2020.  
"Materials Data on TmFeB4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1655674.  https://www.osti.gov/servlets/purl/1655674. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1655674,

  title        = {Materials Data on TmFeB4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TmFeB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Tm3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Tm–B bond distances ranging from 2.55–2.68 Å. Fe3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Fe–B bond distances ranging from 2.17–2.27 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Tm3+, four equivalent Fe3+, and three B+1.50- atoms. There is one shorter (1.68 Å) and two longer (1.71 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Fe3+, and three B+1.50- atoms. There is one shorter (1.77 Å) and one longer (1.79 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Fe3+, and three B+1.50- atoms. Both B–B bond lengths are 1.80 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Fe3+, and three B+1.50- atoms.},

  doi          = {10.17188/1655674},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1655674

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