Materials Data on YbAlNi by Materials Project

doi:10.17188/1685945

Title: Materials Data on YbAlNi by Materials Project

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Abstract

YbNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to five Ni and six equivalent Al atoms. There are one shorter (2.82 Å) and four longer (2.89 Å) Yb–Ni bond lengths. There are two shorter (3.12 Å) and four longer (3.20 Å) Yb–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted q6 geometry to three equivalent Yb and six equivalent Al atoms. All Ni–Al bond lengths are 2.60 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Al atoms. All Ni–Al bond lengths are 2.64 Å. Al is bonded in a 12-coordinate geometry to six equivalent Yb, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.75 Å.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1078733

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; YbAlNi; Al-Ni-Yb

OSTI Identifier:: 1685945

DOI:: https://doi.org/10.17188/1685945

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                    The Materials Project. Materials Data on YbAlNi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685945.

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                    The Materials Project. Materials Data on YbAlNi by Materials Project.  United States.  doi:https://doi.org/10.17188/1685945

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                    The Materials Project. 2020.  
"Materials Data on YbAlNi by Materials Project".  United States.  doi:https://doi.org/10.17188/1685945.  https://www.osti.gov/servlets/purl/1685945. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1685945,

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

  author       = {The Materials Project},

  abstractNote = {YbNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to five Ni and six equivalent Al atoms. There are one shorter (2.82 Å) and four longer (2.89 Å) Yb–Ni bond lengths. There are two shorter (3.12 Å) and four longer (3.20 Å) Yb–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted q6 geometry to three equivalent Yb and six equivalent Al atoms. All Ni–Al bond lengths are 2.60 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Al atoms. All Ni–Al bond lengths are 2.64 Å. Al is bonded in a 12-coordinate geometry to six equivalent Yb, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.75 Å.},

  doi          = {10.17188/1685945},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1685945

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