U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrNi5 by Materials Project
Abstract
PrNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are six shorter (2.87 Å) and twelve longer (3.18 Å) Pr–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.45 Å. In the second Ni site, Ni is bonded to four equivalent Pr and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiPr4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å.
- Publication Date:
- Other Number(s):
- mp-2370
- 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-Pr; PrNi5; crystal structure
- OSTI Identifier:
- 1199668
- DOI:
- https://doi.org/10.17188/1199668
Citation Formats
Materials Data on PrNi5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199668.
Materials Data on PrNi5 by Materials Project. United States. doi:https://doi.org/10.17188/1199668
2020.
"Materials Data on PrNi5 by Materials Project". United States. doi:https://doi.org/10.17188/1199668. https://www.osti.gov/servlets/purl/1199668. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1199668,
title = {Materials Data on PrNi5 by Materials Project},
abstractNote = {PrNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are six shorter (2.87 Å) and twelve longer (3.18 Å) Pr–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.45 Å. In the second Ni site, Ni is bonded to four equivalent Pr and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiPr4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å.},
doi = {10.17188/1199668},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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