Materials Data on FeCoSn2 by Materials Project

doi:10.17188/1686970

Title: Materials Data on FeCoSn2 by Materials Project

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Abstract

FeCoSn2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted q6 geometry to two equivalent Fe, two equivalent Co, and six Sn atoms. Both Fe–Fe bond lengths are 2.58 Å. Both Fe–Co bond lengths are 2.68 Å. There are four shorter (2.65 Å) and two longer (2.68 Å) Fe–Sn bond lengths. In the second Fe site, Fe is bonded in a distorted q6 geometry to four Co and six Sn atoms. There are two shorter (2.58 Å) and two longer (2.66 Å) Fe–Co bond lengths. There are four shorter (2.65 Å) and two longer (2.69 Å) Fe–Sn bond lengths. In the third Fe site, Fe is bonded in a distorted q6 geometry to two equivalent Fe, two equivalent Co, and six Sn atoms. Both Fe–Co bond lengths are 2.68 Å. There are four shorter (2.65 Å) and two longer (2.68 Å) Fe–Sn bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to three Fe, one Co, and six Sn atoms. The Co–Co bond length is 2.69 Å. There are amore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1225200

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; FeCoSn2; Co-Fe-Sn

OSTI Identifier:: 1686970

DOI:: https://doi.org/10.17188/1686970

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                    The Materials Project. Materials Data on FeCoSn2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1686970.

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                    The Materials Project. Materials Data on FeCoSn2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1686970

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                    The Materials Project. 2020.  
"Materials Data on FeCoSn2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1686970.  https://www.osti.gov/servlets/purl/1686970. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1686970,

  title        = {Materials Data on FeCoSn2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeCoSn2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted q6 geometry to two equivalent Fe, two equivalent Co, and six Sn atoms. Both Fe–Fe bond lengths are 2.58 Å. Both Fe–Co bond lengths are 2.68 Å. There are four shorter (2.65 Å) and two longer (2.68 Å) Fe–Sn bond lengths. In the second Fe site, Fe is bonded in a distorted q6 geometry to four Co and six Sn atoms. There are two shorter (2.58 Å) and two longer (2.66 Å) Fe–Co bond lengths. There are four shorter (2.65 Å) and two longer (2.69 Å) Fe–Sn bond lengths. In the third Fe site, Fe is bonded in a distorted q6 geometry to two equivalent Fe, two equivalent Co, and six Sn atoms. Both Fe–Co bond lengths are 2.68 Å. There are four shorter (2.65 Å) and two longer (2.68 Å) Fe–Sn bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to three Fe, one Co, and six Sn atoms. The Co–Co bond length is 2.69 Å. There are a spread of Co–Sn bond distances ranging from 2.58–2.65 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to two equivalent Fe, two equivalent Co, and six Sn atoms. There are four shorter (2.65 Å) and two longer (2.66 Å) Co–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to two equivalent Fe and four Co atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to four Fe and two equivalent Co atoms. In the third Sn site, Sn is bonded in a hexagonal planar geometry to three Fe and three Co atoms.},

  doi          = {10.17188/1686970},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1686970

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