Materials Data on HfNi5 by Materials Project

doi:10.17188/1275135

Title: Materials Data on HfNi5 by Materials Project

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Abstract

HfNi5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to sixteen Ni atoms. There are twelve shorter (2.76 Å) and four longer (2.88 Å) Hf–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Hf and nine Ni atoms to form a mixture of distorted face, edge, and corner-sharing NiHf3Ni9 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.34–2.76 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to four equivalent Hf and twelve equivalent Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-569516

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; HfNi5; Hf-Ni

OSTI Identifier:: 1275135

DOI:: https://doi.org/10.17188/1275135

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                    The Materials Project. Materials Data on HfNi5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275135.

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                    The Materials Project. Materials Data on HfNi5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275135

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                    The Materials Project. 2020.  
"Materials Data on HfNi5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275135.  https://www.osti.gov/servlets/purl/1275135. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1275135,

  title        = {Materials Data on HfNi5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HfNi5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to sixteen Ni atoms. There are twelve shorter (2.76 Å) and four longer (2.88 Å) Hf–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Hf and nine Ni atoms to form a mixture of distorted face, edge, and corner-sharing NiHf3Ni9 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.34–2.76 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to four equivalent Hf and twelve equivalent Ni atoms.},

  doi          = {10.17188/1275135},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1275135

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