Materials Data on U(MnAl2)4 by Materials Project

doi:10.17188/1195865

Title: Materials Data on U(MnAl2)4 by Materials Project

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Abstract

UMn4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight equivalent Mn and twelve Al atoms. All U–Mn bond lengths are 3.36 Å. There are four shorter (2.99 Å) and eight longer (3.20 Å) U–Al bond lengths. Mn is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Mn, and eight Al atoms. Both Mn–Mn bond lengths are 2.56 Å. There are four shorter (2.55 Å) and four longer (2.66 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one U, four equivalent Mn, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.77–2.83 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Mn, and six Al atoms. Both Al–Al bond lengths are 2.72 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-20704

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(MnAl2)4; Al-Mn-U

OSTI Identifier:: 1195865

DOI:: https://doi.org/10.17188/1195865

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                    The Materials Project. Materials Data on U(MnAl2)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195865.

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                    The Materials Project. Materials Data on U(MnAl2)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195865

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                    The Materials Project. 2020.  
"Materials Data on U(MnAl2)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195865.  https://www.osti.gov/servlets/purl/1195865. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1195865,

  title        = {Materials Data on U(MnAl2)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UMn4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight equivalent Mn and twelve Al atoms. All U–Mn bond lengths are 3.36 Å. There are four shorter (2.99 Å) and eight longer (3.20 Å) U–Al bond lengths. Mn is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Mn, and eight Al atoms. Both Mn–Mn bond lengths are 2.56 Å. There are four shorter (2.55 Å) and four longer (2.66 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one U, four equivalent Mn, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.77–2.83 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Mn, and six Al atoms. Both Al–Al bond lengths are 2.72 Å.},

  doi          = {10.17188/1195865},

  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/10.17188/1195865

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