Materials Data on SmFe12 by Materials Project

doi:10.17188/1316701

Title: Materials Data on SmFe12 by Materials Project

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Abstract

SmFe12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to sixteen Fe atoms to form distorted face-sharing SmFe16 cuboctahedra. There are a spread of Sm–Fe bond distances ranging from 2.87–3.29 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 6-coordinate geometry to two equivalent Sm and twelve Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.45–3.04 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to one Sm and eleven Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.39–2.77 Å. In the third Fe site, Fe is bonded in a 7-coordinate geometry to one Sm and ten Fe atoms. Both Fe–Fe bond lengths are 2.26 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-985581

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; SmFe12; Fe-Sm

OSTI Identifier:: 1316701

DOI:: https://doi.org/10.17188/1316701

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                    The Materials Project. Materials Data on SmFe12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316701.

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                    The Materials Project. Materials Data on SmFe12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316701

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                    The Materials Project. 2020.  
"Materials Data on SmFe12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316701.  https://www.osti.gov/servlets/purl/1316701. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1316701,

  title        = {Materials Data on SmFe12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmFe12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to sixteen Fe atoms to form distorted face-sharing SmFe16 cuboctahedra. There are a spread of Sm–Fe bond distances ranging from 2.87–3.29 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 6-coordinate geometry to two equivalent Sm and twelve Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.45–3.04 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to one Sm and eleven Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.39–2.77 Å. In the third Fe site, Fe is bonded in a 7-coordinate geometry to one Sm and ten Fe atoms. Both Fe–Fe bond lengths are 2.26 Å.},

  doi          = {10.17188/1316701},

  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/10.17188/1316701

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