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Title: Materials Data on NiPt by Materials Project

Abstract

PtNi crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six equivalent Pt2- and six Ni2+ atoms to form a mixture of distorted face, edge, and corner-sharing PtNi6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.72 Å. All Pt–Ni bond lengths are 2.63 Å. In the second Pt2- site, Pt2- is bonded to ten equivalent Pt2- and six Ni2+ atoms to form distorted PtNi6Pt10 cuboctahedra that share corners with twelve PtNi6Pt6 cuboctahedra, edges with sixteen PtNi6Pt6 cuboctahedra, and faces with sixteen equivalent PtNi6Pt10 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.72–5.44 Å. All Pt–Ni bond lengths are 2.63 Å. There are three inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a hexagonal planar geometry to six equivalent Pt2- atoms. In the second Ni2+ site, Ni2+ is bonded in a hexagonal planar geometry to six Pt2- atoms. All Ni–Pt bond lengths are 2.63 Å. In the third Ni2+ site, Ni2+ is bonded in a hexagonal planar geometry to six Pt2- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1220052
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; NiPt; Ni-Pt
OSTI Identifier:
1748846
DOI:
https://doi.org/10.17188/1748846

Citation Formats

The Materials Project. Materials Data on NiPt by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748846.
The Materials Project. Materials Data on NiPt by Materials Project. United States. doi:https://doi.org/10.17188/1748846
The Materials Project. 2020. "Materials Data on NiPt by Materials Project". United States. doi:https://doi.org/10.17188/1748846. https://www.osti.gov/servlets/purl/1748846. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748846,
title = {Materials Data on NiPt by Materials Project},
author = {The Materials Project},
abstractNote = {PtNi crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six equivalent Pt2- and six Ni2+ atoms to form a mixture of distorted face, edge, and corner-sharing PtNi6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.72 Å. All Pt–Ni bond lengths are 2.63 Å. In the second Pt2- site, Pt2- is bonded to ten equivalent Pt2- and six Ni2+ atoms to form distorted PtNi6Pt10 cuboctahedra that share corners with twelve PtNi6Pt6 cuboctahedra, edges with sixteen PtNi6Pt6 cuboctahedra, and faces with sixteen equivalent PtNi6Pt10 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.72–5.44 Å. All Pt–Ni bond lengths are 2.63 Å. There are three inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a hexagonal planar geometry to six equivalent Pt2- atoms. In the second Ni2+ site, Ni2+ is bonded in a hexagonal planar geometry to six Pt2- atoms. All Ni–Pt bond lengths are 2.63 Å. In the third Ni2+ site, Ni2+ is bonded in a hexagonal planar geometry to six Pt2- atoms.},
doi = {10.17188/1748846},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}