Materials Data on Sm(Fe5Mo)2 by Materials Project

doi:10.17188/1662356

Title: Materials Data on Sm(Fe5Mo)2 by Materials Project

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Abstract

SmFe10Mo2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to two equivalent Mo and eighteen Fe atoms. Both Sm–Mo bond lengths are 3.10 Å. There are a spread of Sm–Fe bond distances ranging from 3.04–3.27 Å. Mo is bonded in a 10-coordinate geometry to one Sm, one Mo, and twelve Fe atoms. The Mo–Mo bond length is 2.43 Å. There are a spread of Mo–Fe bond distances ranging from 2.62–2.94 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Sm, two equivalent Mo, and eight Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeSm2Fe8Mo2 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.38–2.64 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Sm, two equivalent Mo, and eight Fe atoms. There are two shorter (2.66 Å) and two longer (2.73 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Sm, two equivalent Mo, and eight Fe atoms. Both Fe–Fe bond lengths are 2.64 Å. In the fourthmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1219335

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; Sm(Fe5Mo)2; Fe-Mo-Sm

OSTI Identifier:: 1662356

DOI:: https://doi.org/10.17188/1662356

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                    The Materials Project. Materials Data on Sm(Fe5Mo)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1662356.

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                    The Materials Project. Materials Data on Sm(Fe5Mo)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662356

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                    The Materials Project. 2019.  
"Materials Data on Sm(Fe5Mo)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662356.  https://www.osti.gov/servlets/purl/1662356. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1662356,

  title        = {Materials Data on Sm(Fe5Mo)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmFe10Mo2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to two equivalent Mo and eighteen Fe atoms. Both Sm–Mo bond lengths are 3.10 Å. There are a spread of Sm–Fe bond distances ranging from 3.04–3.27 Å. Mo is bonded in a 10-coordinate geometry to one Sm, one Mo, and twelve Fe atoms. The Mo–Mo bond length is 2.43 Å. There are a spread of Mo–Fe bond distances ranging from 2.62–2.94 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Sm, two equivalent Mo, and eight Fe atoms to form a mixture of distorted corner, edge, and face-sharing FeSm2Fe8Mo2 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.38–2.64 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Sm, two equivalent Mo, and eight Fe atoms. There are two shorter (2.66 Å) and two longer (2.73 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Sm, two equivalent Mo, and eight Fe atoms. Both Fe–Fe bond lengths are 2.64 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Sm, four equivalent Mo, and nine Fe atoms. The Fe–Fe bond length is 2.42 Å.},

  doi          = {10.17188/1662356},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1662356

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