Materials Data on NdFe5 by Materials Project

doi:10.17188/1187788

Title: Materials Data on NdFe5 by Materials Project

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Abstract

NdFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.97 Å) and twelve longer (3.24 Å) Nd–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Fe atoms. All Fe–Fe bond lengths are 2.47 Å. In the second Fe site, Fe is bonded to four equivalent Nd and eight Fe atoms to form a mixture of edge, face, and corner-sharing FeNd4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.57 Å.

Publication Date:: 2020-07-16

Other Number(s):: mp-11382

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Fe-Nd; NdFe5; crystal structure

OSTI Identifier:: 1187788

DOI:: https://doi.org/10.17188/1187788

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                    Materials Data on NdFe5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187788.

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                    Materials Data on NdFe5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187788

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                    2020.  
"Materials Data on NdFe5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187788.  https://www.osti.gov/servlets/purl/1187788. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187788,

  title        = {Materials Data on NdFe5 by Materials Project},

  
  abstractNote = {NdFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.97 Å) and twelve longer (3.24 Å) Nd–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Fe atoms. All Fe–Fe bond lengths are 2.47 Å. In the second Fe site, Fe is bonded to four equivalent Nd and eight Fe atoms to form a mixture of edge, face, and corner-sharing FeNd4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.57 Å.},

  doi          = {10.17188/1187788},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187788

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