U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zr6Ni23 by Materials Project
Abstract
Zr6Ni23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.72–2.89 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Zr and nine Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.33–2.54 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Ni–Ni bond lengths are 2.37 Å. In the third Ni site, Ni is bonded to four equivalent Zr and eight Ni atoms to form a mixture of corner and face-sharing NiZr4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.51 Å. In the fourth Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent Zr and ten Ni atoms. All Ni–Ni bond lengths are 2.74 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1194271
- 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; Zr6Ni23; Ni-Zr
- OSTI Identifier:
- 1676230
- DOI:
- https://doi.org/10.17188/1676230
Citation Formats
The Materials Project. Materials Data on Zr6Ni23 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1676230.
The Materials Project. Materials Data on Zr6Ni23 by Materials Project. United States. doi:https://doi.org/10.17188/1676230
The Materials Project. 2020.
"Materials Data on Zr6Ni23 by Materials Project". United States. doi:https://doi.org/10.17188/1676230. https://www.osti.gov/servlets/purl/1676230. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1676230,
title = {Materials Data on Zr6Ni23 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr6Ni23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.72–2.89 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Zr and nine Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.33–2.54 Å. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Ni–Ni bond lengths are 2.37 Å. In the third Ni site, Ni is bonded to four equivalent Zr and eight Ni atoms to form a mixture of corner and face-sharing NiZr4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.51 Å. In the fourth Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent Zr and ten Ni atoms. All Ni–Ni bond lengths are 2.74 Å.},
doi = {10.17188/1676230},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}