Materials Data on Mg16PaAl12 by Materials Project

doi:10.17188/1711041

Title: Materials Data on Mg16PaAl12 by Materials Project

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Abstract

Mg16PaAl12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.02–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.86–3.19 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Pa, and six equivalent Al atoms. The Mg–Pa bond length is 3.30 Å. All Mg–Al bond lengths are 3.18 Å. Pa is bonded in a 4-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Pa–Al bond lengths are 3.21 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Pa, and three equivalent Al atoms. There are one shorter (2.70 Å) and two longer (2.76 Å) Al–Al bond lengths.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1185725

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; Mg16PaAl12; Al-Mg-Pa

OSTI Identifier:: 1711041

DOI:: https://doi.org/10.17188/1711041

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                    The Materials Project. Materials Data on Mg16PaAl12 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1711041.

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                    The Materials Project. Materials Data on Mg16PaAl12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711041

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                    The Materials Project. 2019.  
"Materials Data on Mg16PaAl12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711041.  https://www.osti.gov/servlets/purl/1711041. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1711041,

  title        = {Materials Data on Mg16PaAl12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg16PaAl12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.02–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.86–3.19 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Pa, and six equivalent Al atoms. The Mg–Pa bond length is 3.30 Å. All Mg–Al bond lengths are 3.18 Å. Pa is bonded in a 4-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Pa–Al bond lengths are 3.21 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Pa, and three equivalent Al atoms. There are one shorter (2.70 Å) and two longer (2.76 Å) Al–Al bond lengths.},

  doi          = {10.17188/1711041},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1711041

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