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Title: Materials Data on Ni3Sb by Materials Project

Abstract

Ni3Sb is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing NiSb4 trigonal pyramids. There are three shorter (2.60 Å) and one longer (2.66 Å) Ni–Sb bond lengths. In the second Ni1+ site, Ni1+ is bonded in a see-saw-like geometry to four equivalent Sb3- atoms. There are two shorter (2.66 Å) and two longer (2.68 Å) Ni–Sb bond lengths. Sb3- is bonded to twelve Ni1+ atoms to form a mixture of edge, face, and corner-sharing SbNi12 cuboctahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-672371
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; Ni3Sb; Ni-Sb
OSTI Identifier:
1281866
DOI:
10.17188/1281866

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ni3Sb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281866.
Persson, Kristin, & Project, Materials. Materials Data on Ni3Sb by Materials Project. United States. doi:10.17188/1281866.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ni3Sb by Materials Project". United States. doi:10.17188/1281866. https://www.osti.gov/servlets/purl/1281866. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1281866,
title = {Materials Data on Ni3Sb by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ni3Sb is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing NiSb4 trigonal pyramids. There are three shorter (2.60 Å) and one longer (2.66 Å) Ni–Sb bond lengths. In the second Ni1+ site, Ni1+ is bonded in a see-saw-like geometry to four equivalent Sb3- atoms. There are two shorter (2.66 Å) and two longer (2.68 Å) Ni–Sb bond lengths. Sb3- is bonded to twelve Ni1+ atoms to form a mixture of edge, face, and corner-sharing SbNi12 cuboctahedra.},
doi = {10.17188/1281866},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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