Materials Data on U(Fe5Si)2 by Materials Project

doi:10.17188/1733075

Title: Materials Data on U(Fe5Si)2 by Materials Project

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Abstract

UFe10Si2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to sixteen Fe and four equivalent Si atoms. There are a spread of U–Fe bond distances ranging from 2.85–3.17 Å. All U–Si bond lengths are 3.09 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to one U, eleven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.38–2.91 Å. Both Fe–Si bond lengths are 2.58 Å. In the second Fe site, Fe is bonded in a 10-coordinate geometry to one U, eleven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.44–2.68 Å. Both Fe–Si bond lengths are 2.54 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent U, eight Fe, and two equivalent Si atoms. All Fe–Fe bond lengths are 2.46 Å. Both Fe–Si bond lengths are 2.56 Å. In the fourth Fe site, Fe is bonded to two equivalent U, eight Fe, and two equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharingmore »« less

Authors:: The Materials Project

Publication Date:: Thu Jun 04 00:00:00 EDT 2020

Other Number(s):: mp-1217053

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; U(Fe5Si)2; Fe-Si-U

OSTI Identifier:: 1733075

DOI:: https://doi.org/10.17188/1733075

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                    The Materials Project. Materials Data on U(Fe5Si)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1733075.

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                    The Materials Project. Materials Data on U(Fe5Si)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1733075

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                    The Materials Project. 2020.  
"Materials Data on U(Fe5Si)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1733075.  https://www.osti.gov/servlets/purl/1733075. Pub date:Thu Jun 04 00:00:00 EDT 2020

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@article{osti_1733075,

  title        = {Materials Data on U(Fe5Si)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UFe10Si2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to sixteen Fe and four equivalent Si atoms. There are a spread of U–Fe bond distances ranging from 2.85–3.17 Å. All U–Si bond lengths are 3.09 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to one U, eleven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.38–2.91 Å. Both Fe–Si bond lengths are 2.58 Å. In the second Fe site, Fe is bonded in a 10-coordinate geometry to one U, eleven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.44–2.68 Å. Both Fe–Si bond lengths are 2.54 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent U, eight Fe, and two equivalent Si atoms. All Fe–Fe bond lengths are 2.46 Å. Both Fe–Si bond lengths are 2.56 Å. In the fourth Fe site, Fe is bonded to two equivalent U, eight Fe, and two equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing FeU2Fe8Si2 cuboctahedra. Both Fe–Fe bond lengths are 2.36 Å. Both Fe–Si bond lengths are 2.36 Å. Si is bonded in a 12-coordinate geometry to two equivalent U and ten Fe atoms.},

  doi          = {10.17188/1733075},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jun 04 00:00:00 EDT 2020},

  month        = {Thu Jun 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1733075

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