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

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 » 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.« less

Authors:
Publication Date:
Other Number(s):
mp-1220105
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; Ni3(Sn2Pt)2; Ni-Pt-Sn
OSTI Identifier:
1732051
DOI:
https://doi.org/10.17188/1732051

Citation Formats

The Materials Project. Materials Data on Ni3(Sn2Pt)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1732051.
The Materials Project. Materials Data on Ni3(Sn2Pt)2 by Materials Project. United States. doi:https://doi.org/10.17188/1732051
The Materials Project. 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:Sat Jan 12 00:00:00 EST 2019
@article{osti_1732051,
title = {Materials Data on Ni3(Sn2Pt)2 by Materials Project},
author = {The 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}
}