U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-1197600
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Al-Cu-Ni-Zr; Zr12Al3Cu2Ni3; crystal structure
- OSTI Identifier:
- 1687450
- DOI:
- https://doi.org/10.17188/1687450
Citation Formats
Materials Data on Zr12Al3Cu2Ni3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1687450.
Materials Data on Zr12Al3Cu2Ni3 by Materials Project. United States. doi:https://doi.org/10.17188/1687450
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:Fri Jan 11 23:00:00 EST 2019
@article{osti_1687450,
title = {Materials Data on Zr12Al3Cu2Ni3 by 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}
}
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