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Title: Materials Data on Zr2Ni7 by Materials Project

Abstract

Zr2Ni7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to fourteen Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.72–2.89 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Zr and eight Ni atoms to form a mixture of face, edge, and corner-sharing NiZr4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.35–2.49 Å. In the second Ni site, Ni is bonded to four equivalent Zr and eight Ni atoms to form a mixture of face, edge, and corner-sharing NiZr4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to four equivalent Zr and eight Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.42–2.73 Å.

Publication Date:
Other Number(s):
mp-2717
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; Zr2Ni7; Ni-Zr
OSTI Identifier:
1201382
DOI:
10.17188/1201382

Citation Formats

The Materials Project. Materials Data on Zr2Ni7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201382.
The Materials Project. Materials Data on Zr2Ni7 by Materials Project. United States. doi:10.17188/1201382.
The Materials Project. 2020. "Materials Data on Zr2Ni7 by Materials Project". United States. doi:10.17188/1201382. https://www.osti.gov/servlets/purl/1201382. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1201382,
title = {Materials Data on Zr2Ni7 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr2Ni7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to fourteen Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.72–2.89 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Zr and eight Ni atoms to form a mixture of face, edge, and corner-sharing NiZr4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.35–2.49 Å. In the second Ni site, Ni is bonded to four equivalent Zr and eight Ni atoms to form a mixture of face, edge, and corner-sharing NiZr4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to four equivalent Zr and eight Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.42–2.73 Å.},
doi = {10.17188/1201382},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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