Materials Data on TbFeSb3 by Materials Project

doi:10.17188/1685479

Title: Materials Data on TbFeSb3 by Materials Project

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Abstract

TbFeSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 9-coordinate geometry to nine Sb2- atoms. There are a spread of Tb–Sb bond distances ranging from 3.16–3.37 Å. In the second Tb3+ site, Tb3+ is bonded in a 9-coordinate geometry to nine Sb2- atoms. There are a spread of Tb–Sb bond distances ranging from 3.14–3.29 Å. Fe3+ is bonded to six Sb2- atoms to form a mixture of distorted edge, face, and corner-sharing FeSb6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Fe–Sb bond distances ranging from 2.59–2.68 Å. There are five inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 6-coordinate geometry to four Tb3+ and two equivalent Fe3+ atoms. In the second Sb2- site, Sb2- is bonded in a 5-coordinate geometry to one Tb3+, four equivalent Fe3+, and one Sb2- atom. The Sb–Sb bond length is 3.08 Å. In the third Sb2- site, Sb2- is bonded in a 5-coordinate geometry to one Tb3+ and four equivalent Fe3+ atoms. In the fourth Sb2- site, Sb2- is bonded in a 7-coordinate geometry tomore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1199267

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; TbFeSb3; Fe-Sb-Tb

OSTI Identifier:: 1685479

DOI:: https://doi.org/10.17188/1685479

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                    The Materials Project. Materials Data on TbFeSb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685479.

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                    The Materials Project. Materials Data on TbFeSb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685479

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                    The Materials Project. 2020.  
"Materials Data on TbFeSb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685479.  https://www.osti.gov/servlets/purl/1685479. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1685479,

  title        = {Materials Data on TbFeSb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbFeSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 9-coordinate geometry to nine Sb2- atoms. There are a spread of Tb–Sb bond distances ranging from 3.16–3.37 Å. In the second Tb3+ site, Tb3+ is bonded in a 9-coordinate geometry to nine Sb2- atoms. There are a spread of Tb–Sb bond distances ranging from 3.14–3.29 Å. Fe3+ is bonded to six Sb2- atoms to form a mixture of distorted edge, face, and corner-sharing FeSb6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Fe–Sb bond distances ranging from 2.59–2.68 Å. There are five inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 6-coordinate geometry to four Tb3+ and two equivalent Fe3+ atoms. In the second Sb2- site, Sb2- is bonded in a 5-coordinate geometry to one Tb3+, four equivalent Fe3+, and one Sb2- atom. The Sb–Sb bond length is 3.08 Å. In the third Sb2- site, Sb2- is bonded in a 5-coordinate geometry to one Tb3+ and four equivalent Fe3+ atoms. In the fourth Sb2- site, Sb2- is bonded in a 7-coordinate geometry to four Tb3+, two equivalent Fe3+, and one Sb2- atom. In the fifth Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four Tb3+ and four equivalent Sb2- atoms. There are a spread of Sb–Sb bond distances ranging from 2.99–3.05 Å.},

  doi          = {10.17188/1685479},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1685479

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