Materials Data on Nd2FeSi3 by Materials Project

doi:10.17188/1718521

Title: Materials Data on Nd2FeSi3 by Materials Project

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Abstract

Nd2FeSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nd is bonded to three equivalent Fe and nine Si atoms to form a mixture of face and edge-sharing NdFe3Si9 cuboctahedra. All Nd–Fe bond lengths are 3.13 Å. There are three shorter (3.13 Å) and six longer (3.20 Å) Nd–Si bond lengths. Fe is bonded in a 3-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Fe–Si bond lengths are 2.33 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Si–Si bond lengths are 2.33 Å. In the second Si site, Si is bonded in a 3-coordinate geometry to six equivalent Nd and three equivalent Fe atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Si atoms.

Authors:: The Materials Project

Publication Date:: Tue May 05 00:00:00 EDT 2020

Other Number(s):: mp-1220440

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; Nd2FeSi3; Fe-Nd-Si

OSTI Identifier:: 1718521

DOI:: https://doi.org/10.17188/1718521

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                    The Materials Project. Materials Data on Nd2FeSi3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1718521.

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                    The Materials Project. Materials Data on Nd2FeSi3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1718521

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                    The Materials Project. 2020.  
"Materials Data on Nd2FeSi3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1718521.  https://www.osti.gov/servlets/purl/1718521. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1718521,

  title        = {Materials Data on Nd2FeSi3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd2FeSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nd is bonded to three equivalent Fe and nine Si atoms to form a mixture of face and edge-sharing NdFe3Si9 cuboctahedra. All Nd–Fe bond lengths are 3.13 Å. There are three shorter (3.13 Å) and six longer (3.20 Å) Nd–Si bond lengths. Fe is bonded in a 3-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Fe–Si bond lengths are 2.33 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Si–Si bond lengths are 2.33 Å. In the second Si site, Si is bonded in a 3-coordinate geometry to six equivalent Nd and three equivalent Fe atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Si atoms.},

  doi          = {10.17188/1718521},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue May 05 00:00:00 EDT 2020},

  month        = {Tue May 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1718521

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