Materials Data on UMn5Al7 by Materials Project

doi:10.17188/1687949

Title: Materials Data on UMn5Al7 by Materials Project

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Abstract

UMn5Al7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to ten Mn and ten Al atoms. There are a spread of U–Mn bond distances ranging from 3.10–3.44 Å. There are a spread of U–Al bond distances ranging from 2.93–3.21 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent U, three Mn, and seven Al atoms. There are a spread of Mn–Mn bond distances ranging from 2.34–2.62 Å. There are a spread of Mn–Al bond distances ranging from 2.50–2.67 Å. In the second Mn site, Mn is bonded in a distorted q6 geometry to two equivalent U, four equivalent Mn, and six Al atoms. There are a spread of Mn–Al bond distances ranging from 2.66–2.70 Å. There are five 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 2.67–2.88 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one U, six Mn, and seven Al atoms. Theremore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1216854

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; UMn5Al7; Al-Mn-U

OSTI Identifier:: 1687949

DOI:: https://doi.org/10.17188/1687949

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                    The Materials Project. Materials Data on UMn5Al7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1687949.

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                    The Materials Project. Materials Data on UMn5Al7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687949

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                    The Materials Project. 2020.  
"Materials Data on UMn5Al7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687949.  https://www.osti.gov/servlets/purl/1687949. Pub date:Thu Jun 04 00:00:00 EDT 2020

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@article{osti_1687949,

  title        = {Materials Data on UMn5Al7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UMn5Al7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to ten Mn and ten Al atoms. There are a spread of U–Mn bond distances ranging from 3.10–3.44 Å. There are a spread of U–Al bond distances ranging from 2.93–3.21 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent U, three Mn, and seven Al atoms. There are a spread of Mn–Mn bond distances ranging from 2.34–2.62 Å. There are a spread of Mn–Al bond distances ranging from 2.50–2.67 Å. In the second Mn site, Mn is bonded in a distorted q6 geometry to two equivalent U, four equivalent Mn, and six Al atoms. There are a spread of Mn–Al bond distances ranging from 2.66–2.70 Å. There are five 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 2.67–2.88 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one U, six Mn, and seven Al atoms. There are two shorter (2.88 Å) and four longer (3.08 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to one U, five Mn, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.87 Å. In the fourth 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. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, five Mn, and five Al atoms.},

  doi          = {10.17188/1687949},

  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/10.17188/1687949

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