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Title: Materials Data on Zr12Al3Cu2Ni3 by Materials Project

Abstract

Zr12Ni3Cu2Al3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to one Ni, one Cu, and two equivalent Al atoms. The Zr–Ni bond length is 2.46 Å. The Zr–Cu bond length is 2.61 Å. There are one shorter (2.89 Å) and one longer (2.91 Å) Zr–Al bond lengths. Ni is bonded to four equivalent Zr atoms to form NiZr4 tetrahedra that share corners with four equivalent CuZr6 octahedra. The corner-sharing octahedral tilt angles are 62°. Cu is bonded to six equivalent Zr atoms to form distorted CuZr6 octahedra that share corners with six equivalent NiZr4 tetrahedra. Al is bonded in a body-centered cubic geometry to eight equivalent Zr atoms.

Authors:
Publication Date:
Other Number(s):
mp-1197600
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; Zr12Al3Cu2Ni3; Al-Cu-Ni-Zr
OSTI Identifier:
1687450
DOI:
https://doi.org/10.17188/1687450

Citation Formats

The Materials Project. Materials Data on Zr12Al3Cu2Ni3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1687450.
The Materials Project. Materials Data on Zr12Al3Cu2Ni3 by Materials Project. United States. doi:https://doi.org/10.17188/1687450
The Materials Project. 2019. "Materials Data on Zr12Al3Cu2Ni3 by Materials Project". United States. doi:https://doi.org/10.17188/1687450. https://www.osti.gov/servlets/purl/1687450. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1687450,
title = {Materials Data on Zr12Al3Cu2Ni3 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr12Ni3Cu2Al3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to one Ni, one Cu, and two equivalent Al atoms. The Zr–Ni bond length is 2.46 Å. The Zr–Cu bond length is 2.61 Å. There are one shorter (2.89 Å) and one longer (2.91 Å) Zr–Al bond lengths. Ni is bonded to four equivalent Zr atoms to form NiZr4 tetrahedra that share corners with four equivalent CuZr6 octahedra. The corner-sharing octahedral tilt angles are 62°. Cu is bonded to six equivalent Zr atoms to form distorted CuZr6 octahedra that share corners with six equivalent NiZr4 tetrahedra. Al is bonded in a body-centered cubic geometry to eight equivalent Zr atoms.},
doi = {10.17188/1687450},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}