Materials Data on TbFe2 by Materials Project

doi:10.17188/1655887

Title: Materials Data on TbFe2 by Materials Project

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Abstract

TbFe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve Fe atoms. There are nine shorter (3.04 Å) and three longer (3.05 Å) Tb–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Tb and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeTb6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.57 Å. In the second Fe site, Fe is bonded to six equivalent Tb and six Fe atoms to form a mixture of corner, edge, and face-sharing FeTb6Fe6 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.62 Å) Fe–Fe bond lengths.

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1102431

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; TbFe2; Fe-Tb

OSTI Identifier:: 1655887

DOI:: https://doi.org/10.17188/1655887

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                    The Materials Project. Materials Data on TbFe2 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1655887.

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                    The Materials Project. Materials Data on TbFe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1655887

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                    The Materials Project. 2018.  
"Materials Data on TbFe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1655887.  https://www.osti.gov/servlets/purl/1655887. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1655887,

  title        = {Materials Data on TbFe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbFe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve Fe atoms. There are nine shorter (3.04 Å) and three longer (3.05 Å) Tb–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Tb and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeTb6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.57 Å. In the second Fe site, Fe is bonded to six equivalent Tb and six Fe atoms to form a mixture of corner, edge, and face-sharing FeTb6Fe6 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.62 Å) Fe–Fe bond lengths.},

  doi          = {10.17188/1655887},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1655887

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