Materials Data on NdAl4Ni by Materials Project

doi:10.17188/1675974

Title: Materials Data on NdAl4Ni by Materials Project

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Abstract

NdNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 9-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Nd–Ni bond lengths are 3.30 Å. There are a spread of Nd–Al bond distances ranging from 3.02–3.33 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Nd and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.30–2.50 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four equivalent Nd and six Al atoms. There are four shorter (2.91 Å) and two longer (3.04 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a distorted single-bond geometry to three equivalent Nd, one Ni, and four equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Nd, three equivalent Ni, and one Al atom.

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1102135

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; NdAl4Ni; Al-Nd-Ni

OSTI Identifier:: 1675974

DOI:: https://doi.org/10.17188/1675974

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                    The Materials Project. Materials Data on NdAl4Ni by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1675974.

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                    The Materials Project. Materials Data on NdAl4Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1675974

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                    The Materials Project. 2018.  
"Materials Data on NdAl4Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1675974.  https://www.osti.gov/servlets/purl/1675974. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1675974,

  title        = {Materials Data on NdAl4Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 9-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Nd–Ni bond lengths are 3.30 Å. There are a spread of Nd–Al bond distances ranging from 3.02–3.33 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Nd and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.30–2.50 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four equivalent Nd and six Al atoms. There are four shorter (2.91 Å) and two longer (3.04 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a distorted single-bond geometry to three equivalent Nd, one Ni, and four equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Nd, three equivalent Ni, and one Al atom.},

  doi          = {10.17188/1675974},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1675974

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