Materials Data on PrAl4Ni by Materials Project

doi:10.17188/1679904

Title: Materials Data on PrAl4Ni by Materials Project

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Abstract

PrNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Pr–Ni bond lengths are 3.32 Å. There are a spread of Pr–Al bond distances ranging from 3.04–3.34 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Pr and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.31–2.51 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four equivalent Pr and six Al atoms. There are four shorter (2.92 Å) and two longer (3.06 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a distorted single-bond geometry to three equivalent Pr, one Ni, and four equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Pr, three equivalent Ni, and one Al atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1095484

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; PrAl4Ni; Al-Ni-Pr

OSTI Identifier:: 1679904

DOI:: https://doi.org/10.17188/1679904

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                    The Materials Project. Materials Data on PrAl4Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1679904.

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                    The Materials Project. Materials Data on PrAl4Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1679904

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                    The Materials Project. 2020.  
"Materials Data on PrAl4Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1679904.  https://www.osti.gov/servlets/purl/1679904. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1679904,

  title        = {Materials Data on PrAl4Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Pr–Ni bond lengths are 3.32 Å. There are a spread of Pr–Al bond distances ranging from 3.04–3.34 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Pr and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.31–2.51 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four equivalent Pr and six Al atoms. There are four shorter (2.92 Å) and two longer (3.06 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a distorted single-bond geometry to three equivalent Pr, one Ni, and four equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Pr, three equivalent Ni, and one Al atom.},

  doi          = {10.17188/1679904},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1679904

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