Materials Data on Sm2Fe15Si2 by Materials Project

doi:10.17188/1734290

Title: Materials Data on Sm2Fe15Si2 by Materials Project

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Abstract

Sm2Fe15Si2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to eighteen Fe and one Si atom. There are a spread of Sm–Fe bond distances ranging from 2.99–3.29 Å. The Sm–Si bond length is 3.05 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Sm, eight Fe, and two equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing FeSm2Fe8Si2 cuboctahedra. There are four shorter (2.40 Å) and four longer (2.44 Å) Fe–Fe bond lengths. Both Fe–Si bond lengths are 2.55 Å. In the second Fe site, Fe is bonded to two equivalent Sm, eight Fe, and two equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing FeSm2Fe8Si2 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.42–2.66 Å. Both Fe–Si bond lengths are 2.73 Å. In the third Fe site, Fe is bonded to three equivalent Sm, eight Fe, and one Si atom to form a mixture of edge, corner, and face-sharing FeSm3Fe8Si cuboctahedra. Both Fe–Fe bond lengths are 2.44 Å. The Fe–Si bond length is 2.56 Å. Si is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: Fri Jun 05 00:00:00 EDT 2020

Other Number(s):: mp-1188924

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; Sm2Fe15Si2; Fe-Si-Sm

OSTI Identifier:: 1734290

DOI:: https://doi.org/10.17188/1734290

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                    The Materials Project. Materials Data on Sm2Fe15Si2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1734290.

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                    The Materials Project. Materials Data on Sm2Fe15Si2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1734290

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                    The Materials Project. 2020.  
"Materials Data on Sm2Fe15Si2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1734290.  https://www.osti.gov/servlets/purl/1734290. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1734290,

  title        = {Materials Data on Sm2Fe15Si2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm2Fe15Si2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to eighteen Fe and one Si atom. There are a spread of Sm–Fe bond distances ranging from 2.99–3.29 Å. The Sm–Si bond length is 3.05 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Sm, eight Fe, and two equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing FeSm2Fe8Si2 cuboctahedra. There are four shorter (2.40 Å) and four longer (2.44 Å) Fe–Fe bond lengths. Both Fe–Si bond lengths are 2.55 Å. In the second Fe site, Fe is bonded to two equivalent Sm, eight Fe, and two equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing FeSm2Fe8Si2 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.42–2.66 Å. Both Fe–Si bond lengths are 2.73 Å. In the third Fe site, Fe is bonded to three equivalent Sm, eight Fe, and one Si atom to form a mixture of edge, corner, and face-sharing FeSm3Fe8Si cuboctahedra. Both Fe–Fe bond lengths are 2.44 Å. The Fe–Si bond length is 2.56 Å. Si is bonded in a 7-coordinate geometry to one Sm, twelve Fe, and one Si atom. The Si–Si bond length is 2.55 Å.},

  doi          = {10.17188/1734290},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jun 05 00:00:00 EDT 2020},

  month        = {Fri Jun 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1734290

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