U.S. Department of EnergyOffice of Scientific and Technical Information
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
- 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; Ni-Zr; Zr2Ni7; crystal structure
- OSTI Identifier:
- 1201382
- DOI:
- https://doi.org/10.17188/1201382
Citation Formats
Materials Data on Zr2Ni7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1201382.
Materials Data on Zr2Ni7 by Materials Project. United States. doi:https://doi.org/10.17188/1201382
2020.
"Materials Data on Zr2Ni7 by Materials Project". United States. doi:https://doi.org/10.17188/1201382. https://www.osti.gov/servlets/purl/1201382. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1201382,
title = {Materials Data on Zr2Ni7 by 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}
}