Materials Data on Nd(FeAs3)4 by Materials Project

doi:10.17188/1746802

Title: Materials Data on Nd(FeAs3)4 by Materials Project

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Abstract

Nd(FeAs3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent As+1.25- atoms to form NdAs12 cuboctahedra that share faces with eight equivalent FeAs6 octahedra. All Nd–As bond lengths are 3.15 Å. Fe3+ is bonded to six equivalent As+1.25- atoms to form FeAs6 octahedra that share corners with six equivalent FeAs6 octahedra and faces with two equivalent NdAs12 cuboctahedra. The corner-sharing octahedral tilt angles are 56°. All Fe–As bond lengths are 2.36 Å. As+1.25- is bonded in a 2-coordinate geometry to one Nd3+, two equivalent Fe3+, and two equivalent As+1.25- atoms. There are one shorter (2.61 Å) and one longer (2.64 Å) As–As bond lengths.

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1209892

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; As-Fe-Nd; Nd(FeAs3)4; crystal structure

OSTI Identifier:: 1746802

DOI:: https://doi.org/10.17188/1746802

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                    Materials Data on Nd(FeAs3)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746802.

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                    Materials Data on Nd(FeAs3)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746802

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                    2020.  
"Materials Data on Nd(FeAs3)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746802.  https://www.osti.gov/servlets/purl/1746802. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1746802,

  title        = {Materials Data on Nd(FeAs3)4 by Materials Project},

  
  abstractNote = {Nd(FeAs3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent As+1.25- atoms to form NdAs12 cuboctahedra that share faces with eight equivalent FeAs6 octahedra. All Nd–As bond lengths are 3.15 Å. Fe3+ is bonded to six equivalent As+1.25- atoms to form FeAs6 octahedra that share corners with six equivalent FeAs6 octahedra and faces with two equivalent NdAs12 cuboctahedra. The corner-sharing octahedral tilt angles are 56°. All Fe–As bond lengths are 2.36 Å. As+1.25- is bonded in a 2-coordinate geometry to one Nd3+, two equivalent Fe3+, and two equivalent As+1.25- atoms. There are one shorter (2.61 Å) and one longer (2.64 Å) As–As bond lengths.},

  doi          = {10.17188/1746802},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1746802

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