Materials Data on Ni3(Sn2Pt)2 by Materials Project

doi:10.17188/1732051

Title: Materials Data on Ni3(Sn2Pt)2 by Materials Project

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Abstract

Ni3(PtSn2)2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 11-coordinate geometry to five Ni and six Sn atoms. There are a spread of Pt–Ni bond distances ranging from 2.62–2.83 Å. There are three shorter (2.80 Å) and three longer (2.86 Å) Pt–Sn bond lengths. In the second Pt site, Pt is bonded in a body-centered cubic geometry to two Ni and six Sn atoms. There are one shorter (2.62 Å) and one longer (2.68 Å) Pt–Ni bond lengths. There are three shorter (2.77 Å) and three longer (2.80 Å) Pt–Sn bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to three equivalent Pt, three equivalent Ni, and five Sn atoms. All Ni–Ni bond lengths are 2.74 Å. There are a spread of Ni–Sn bond distances ranging from 2.43–2.82 Å. In the second Ni site, Ni is bonded in a 11-coordinate geometry to two Pt, three equivalent Ni, and six Sn atoms. There are three shorter (2.71 Å) and three longer (2.79 Å) Ni–Sn bond lengths. In the third Ni site,more »« less

Publication Date:: 2019-01-11

Other Number(s):: mp-1220105

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ni-Pt-Sn; Ni3(Sn2Pt)2; crystal structure

OSTI Identifier:: 1732051

DOI:: https://doi.org/10.17188/1732051

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                    Materials Data on Ni3(Sn2Pt)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1732051.

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                    Materials Data on Ni3(Sn2Pt)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732051

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                    2019.  
"Materials Data on Ni3(Sn2Pt)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732051.  https://www.osti.gov/servlets/purl/1732051. Pub date:Fri Jan 11 23:00:00 EST 2019

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@article{osti_1732051,

  title        = {Materials Data on Ni3(Sn2Pt)2 by Materials Project},

  
  abstractNote = {Ni3(PtSn2)2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 11-coordinate geometry to five Ni and six Sn atoms. There are a spread of Pt–Ni bond distances ranging from 2.62–2.83 Å. There are three shorter (2.80 Å) and three longer (2.86 Å) Pt–Sn bond lengths. In the second Pt site, Pt is bonded in a body-centered cubic geometry to two Ni and six Sn atoms. There are one shorter (2.62 Å) and one longer (2.68 Å) Pt–Ni bond lengths. There are three shorter (2.77 Å) and three longer (2.80 Å) Pt–Sn bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to three equivalent Pt, three equivalent Ni, and five Sn atoms. All Ni–Ni bond lengths are 2.74 Å. There are a spread of Ni–Sn bond distances ranging from 2.43–2.82 Å. In the second Ni site, Ni is bonded in a 11-coordinate geometry to two Pt, three equivalent Ni, and six Sn atoms. There are three shorter (2.71 Å) and three longer (2.79 Å) Ni–Sn bond lengths. In the third Ni site, Ni is bonded in a body-centered cubic geometry to two Pt and six Sn atoms. There are three shorter (2.72 Å) and three longer (2.73 Å) Ni–Sn bond lengths. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to three equivalent Pt and four Ni atoms. In the second Sn site, Sn is bonded in a 7-coordinate geometry to three equivalent Pt and four Ni atoms. In the third Sn site, Sn is bonded in a 9-coordinate geometry to three equivalent Pt and six Ni atoms. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to three equivalent Pt and three equivalent Ni atoms.},

  doi          = {10.17188/1732051},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1732051

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