Materials Data on SmFe12 by Materials Project

doi:10.17188/1708537

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 in a 12-coordinate geometry to twenty Fe atoms. There are twelve shorter (3.05 Å) and eight longer (3.23 Å) Sm–Fe bond lengths. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Sm and ten Fe atoms to form a mixture of edge, corner, and face-sharing FeSm2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.33–2.60 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Sm and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.57–2.79 Å. In the third Fe site, Fe is bonded in a 10-coordinate geometry to one Sm and thirteen Fe atoms. There are one shorter (2.40 Å) and four longer (2.89 Å) Fe–Fe bond lengths.

Authors:: The Materials Project

Publication Date:: Thu Jul 19 00:00:00 EDT 2018

Other Number(s):: mp-1104899

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:: 1708537

DOI:: https://doi.org/10.17188/1708537

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                    The Materials Project. Materials Data on SmFe12 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1708537.

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                    The Materials Project. Materials Data on SmFe12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1708537

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                    The Materials Project. 2018.  
"Materials Data on SmFe12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1708537.  https://www.osti.gov/servlets/purl/1708537. Pub date:Thu Jul 19 00:00:00 EDT 2018

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@article{osti_1708537,

  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 in a 12-coordinate geometry to twenty Fe atoms. There are twelve shorter (3.05 Å) and eight longer (3.23 Å) Sm–Fe bond lengths. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Sm and ten Fe atoms to form a mixture of edge, corner, and face-sharing FeSm2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.33–2.60 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Sm and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.57–2.79 Å. In the third Fe site, Fe is bonded in a 10-coordinate geometry to one Sm and thirteen Fe atoms. There are one shorter (2.40 Å) and four longer (2.89 Å) Fe–Fe bond lengths.},

  doi          = {10.17188/1708537},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 19 00:00:00 EDT 2018},

  month        = {Thu Jul 19 00:00:00 EDT 2018}

}

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DOI: https://doi.org/10.17188/1708537

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