Materials Data on Nd3Fe5O12 by Materials Project

doi:10.17188/1672858

Title: Materials Data on Nd3Fe5O12 by Materials Project

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Abstract

Nd3Fe5O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.44 Å) and four longer (2.55 Å) Nd–O bond lengths. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six equivalent O2- atoms to form corner-sharing FeO6 octahedra. All Fe–O bond lengths are 2.07 Å. In the second Fe3+ site, Fe3+ is bonded to four equivalent O2- atoms to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. All Fe–O bond lengths are 1.91 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two Fe3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1201849

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; Nd3Fe5O12; Fe-Nd-O

OSTI Identifier:: 1672858

DOI:: https://doi.org/10.17188/1672858

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                    The Materials Project. Materials Data on Nd3Fe5O12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672858.

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                    The Materials Project. Materials Data on Nd3Fe5O12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672858

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                    The Materials Project. 2020.  
"Materials Data on Nd3Fe5O12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672858.  https://www.osti.gov/servlets/purl/1672858. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1672858,

  title        = {Materials Data on Nd3Fe5O12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd3Fe5O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.44 Å) and four longer (2.55 Å) Nd–O bond lengths. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six equivalent O2- atoms to form corner-sharing FeO6 octahedra. All Fe–O bond lengths are 2.07 Å. In the second Fe3+ site, Fe3+ is bonded to four equivalent O2- atoms to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. All Fe–O bond lengths are 1.91 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two Fe3+ atoms.},

  doi          = {10.17188/1672858},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1672858

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