Materials Data on TbAl7Fe5 by Materials Project

doi:10.17188/1672844

Title: Materials Data on TbAl7Fe5 by Materials Project

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Abstract

TbFe5Al7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to ten Fe and ten Al atoms. There are a spread of Tb–Fe bond distances ranging from 3.20–3.35 Å. There are a spread of Tb–Al bond distances ranging from 2.89–3.21 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Tb, three Fe, and seven Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.49–2.53 Å. There are a spread of Fe–Al bond distances ranging from 2.48–2.67 Å. In the second Fe site, Fe is bonded to two equivalent Tb, four equivalent Fe, and six Al atoms to form distorted edge-sharing FeTb2Al6Fe4 cuboctahedra. There are a spread of Fe–Al bond distances ranging from 2.60–2.71 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Tb, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.84 Å. In the second Al site, Al is bonded in a 7-coordinate geometry to one Tb, six Fe, and three Al atoms.more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1217593

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; TbAl7Fe5; Al-Fe-Tb

OSTI Identifier:: 1672844

DOI:: https://doi.org/10.17188/1672844

Citation Formats


                    The Materials Project. Materials Data on TbAl7Fe5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672844.

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                    The Materials Project. Materials Data on TbAl7Fe5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672844

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                    The Materials Project. 2020.  
"Materials Data on TbAl7Fe5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672844.  https://www.osti.gov/servlets/purl/1672844. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1672844,

  title        = {Materials Data on TbAl7Fe5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbFe5Al7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to ten Fe and ten Al atoms. There are a spread of Tb–Fe bond distances ranging from 3.20–3.35 Å. There are a spread of Tb–Al bond distances ranging from 2.89–3.21 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Tb, three Fe, and seven Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.49–2.53 Å. There are a spread of Fe–Al bond distances ranging from 2.48–2.67 Å. In the second Fe site, Fe is bonded to two equivalent Tb, four equivalent Fe, and six Al atoms to form distorted edge-sharing FeTb2Al6Fe4 cuboctahedra. There are a spread of Fe–Al bond distances ranging from 2.60–2.71 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Tb, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.84 Å. In the second Al site, Al is bonded in a 7-coordinate geometry to one Tb, six Fe, and three Al atoms. Both Al–Al bond lengths are 2.88 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to one Tb, five Fe, and four Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.79 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Tb, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.71 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Tb, five Fe, and five Al atoms.},

  doi          = {10.17188/1672844},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1672844

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