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Title: Materials Data on Ni3Sn by Materials Project

Abstract

Ni3Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ni is bonded to eight equivalent Ni and four equivalent Sn atoms to form NiNi8Sn4 cuboctahedra that share corners with four equivalent SnNi12 cuboctahedra, corners with fourteen equivalent NiNi8Sn4 cuboctahedra, edges with six equivalent SnNi12 cuboctahedra, edges with twelve equivalent NiNi8Sn4 cuboctahedra, faces with four equivalent SnNi12 cuboctahedra, and faces with sixteen equivalent NiNi8Sn4 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.54–2.76 Å. All Ni–Sn bond lengths are 2.65 Å. Sn is bonded to twelve equivalent Ni atoms to form SnNi12 cuboctahedra that share corners with six equivalent SnNi12 cuboctahedra, corners with twelve equivalent NiNi8Sn4 cuboctahedra, edges with eighteen equivalent NiNi8Sn4 cuboctahedra, faces with eight equivalent SnNi12 cuboctahedra, and faces with twelve equivalent NiNi8Sn4 cuboctahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-20112
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ni3Sn; Ni-Sn
OSTI Identifier:
1182445
DOI:
10.17188/1182445

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ni3Sn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1182445.
Persson, Kristin, & Project, Materials. Materials Data on Ni3Sn by Materials Project. United States. doi:10.17188/1182445.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ni3Sn by Materials Project". United States. doi:10.17188/1182445. https://www.osti.gov/servlets/purl/1182445. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1182445,
title = {Materials Data on Ni3Sn by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ni3Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ni is bonded to eight equivalent Ni and four equivalent Sn atoms to form NiNi8Sn4 cuboctahedra that share corners with four equivalent SnNi12 cuboctahedra, corners with fourteen equivalent NiNi8Sn4 cuboctahedra, edges with six equivalent SnNi12 cuboctahedra, edges with twelve equivalent NiNi8Sn4 cuboctahedra, faces with four equivalent SnNi12 cuboctahedra, and faces with sixteen equivalent NiNi8Sn4 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.54–2.76 Å. All Ni–Sn bond lengths are 2.65 Å. Sn is bonded to twelve equivalent Ni atoms to form SnNi12 cuboctahedra that share corners with six equivalent SnNi12 cuboctahedra, corners with twelve equivalent NiNi8Sn4 cuboctahedra, edges with eighteen equivalent NiNi8Sn4 cuboctahedra, faces with eight equivalent SnNi12 cuboctahedra, and faces with twelve equivalent NiNi8Sn4 cuboctahedra.},
doi = {10.17188/1182445},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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