Materials Data on Lu12In2Fe3 by Materials Project

doi:10.17188/1728719

Title: Materials Data on Lu12In2Fe3 by Materials Project

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Abstract

Lu12Fe3In2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent In atoms. Both Lu–Fe bond lengths are 2.83 Å. Both Lu–In bond lengths are 3.47 Å. In the second Lu site, Lu is bonded in a 3-coordinate geometry to two Fe and two equivalent In atoms. There are one shorter (2.86 Å) and one longer (2.87 Å) Lu–Fe bond lengths. There are one shorter (3.08 Å) and one longer (3.80 Å) Lu–In bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 9-coordinate geometry to eight Lu and one Fe atom. The Fe–Fe bond length is 2.16 Å. In the second Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. In is bonded to twelve Lu atoms to form a mixture of distorted corner and face-sharing InLu12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-1211033

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; Lu12In2Fe3; Fe-In-Lu

OSTI Identifier:: 1728719

DOI:: https://doi.org/10.17188/1728719

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                    The Materials Project. Materials Data on Lu12In2Fe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1728719.

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                    The Materials Project. Materials Data on Lu12In2Fe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1728719

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                    The Materials Project. 2020.  
"Materials Data on Lu12In2Fe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1728719.  https://www.osti.gov/servlets/purl/1728719. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1728719,

  title        = {Materials Data on Lu12In2Fe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Lu12Fe3In2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent In atoms. Both Lu–Fe bond lengths are 2.83 Å. Both Lu–In bond lengths are 3.47 Å. In the second Lu site, Lu is bonded in a 3-coordinate geometry to two Fe and two equivalent In atoms. There are one shorter (2.86 Å) and one longer (2.87 Å) Lu–Fe bond lengths. There are one shorter (3.08 Å) and one longer (3.80 Å) Lu–In bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 9-coordinate geometry to eight Lu and one Fe atom. The Fe–Fe bond length is 2.16 Å. In the second Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. In is bonded to twelve Lu atoms to form a mixture of distorted corner and face-sharing InLu12 cuboctahedra.},

  doi          = {10.17188/1728719},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1728719

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