Materials Data on SmFe5 by Materials Project

doi:10.17188/1191306

Title: Materials Data on SmFe5 by Materials Project

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Abstract

Fe5Sm crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.94 Å) and twelve longer (3.22 Å) Sm–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Fe atoms. All Fe–Fe bond lengths are 2.46 Å. In the second Fe site, Fe is bonded to four equivalent Sm and eight Fe atoms to form a mixture of edge, face, and corner-sharing FeSm4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.54 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-1566

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; SmFe5; Fe-Sm

OSTI Identifier:: 1191306

DOI:: https://doi.org/10.17188/1191306

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                    The Materials Project. Materials Data on SmFe5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191306.

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                    The Materials Project. Materials Data on SmFe5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191306

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                    The Materials Project. 2020.  
"Materials Data on SmFe5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191306.  https://www.osti.gov/servlets/purl/1191306. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1191306,

  title        = {Materials Data on SmFe5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe5Sm crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.94 Å) and twelve longer (3.22 Å) Sm–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Fe atoms. All Fe–Fe bond lengths are 2.46 Å. In the second Fe site, Fe is bonded to four equivalent Sm and eight Fe atoms to form a mixture of edge, face, and corner-sharing FeSm4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.54 Å.},

  doi          = {10.17188/1191306},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1191306

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