U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrCoNi by Materials Project
Abstract
PrCoNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Co and six equivalent Ni atoms. All Pr–Co bond lengths are 3.02 Å. There are four shorter (3.00 Å) and two longer (3.04 Å) Pr–Ni bond lengths. Co is bonded to six equivalent Pr, two equivalent Co, and four equivalent Ni atoms to form CoPr6Co2Ni4 cuboctahedra that share corners with eight equivalent NiPr6Co4Ni2 cuboctahedra, corners with ten equivalent CoPr6Co2Ni4 cuboctahedra, edges with six equivalent CoPr6Co2Ni4 cuboctahedra, faces with six equivalent CoPr6Co2Ni4 cuboctahedra, and faces with twelve equivalent NiPr6Co4Ni2 cuboctahedra. Both Co–Co bond lengths are 2.55 Å. All Co–Ni bond lengths are 2.58 Å. Ni is bonded to six equivalent Pr, four equivalent Co, and two equivalent Ni atoms to form NiPr6Co4Ni2 cuboctahedra that share corners with eight equivalent CoPr6Co2Ni4 cuboctahedra, corners with ten equivalent NiPr6Co4Ni2 cuboctahedra, edges with six equivalent NiPr6Co4Ni2 cuboctahedra, faces with six equivalent NiPr6Co4Ni2 cuboctahedra, and faces with twelve equivalent CoPr6Co2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.58 Å.
- Publication Date:
- Other Number(s):
- mp-1219684
- 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; Co-Ni-Pr; PrCoNi; crystal structure
- OSTI Identifier:
- 1684454
- DOI:
- https://doi.org/10.17188/1684454
Citation Formats
Materials Data on PrCoNi by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1684454.
Materials Data on PrCoNi by Materials Project. United States. doi:https://doi.org/10.17188/1684454
2019.
"Materials Data on PrCoNi by Materials Project". United States. doi:https://doi.org/10.17188/1684454. https://www.osti.gov/servlets/purl/1684454. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1684454,
title = {Materials Data on PrCoNi by Materials Project},
abstractNote = {PrCoNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Co and six equivalent Ni atoms. All Pr–Co bond lengths are 3.02 Å. There are four shorter (3.00 Å) and two longer (3.04 Å) Pr–Ni bond lengths. Co is bonded to six equivalent Pr, two equivalent Co, and four equivalent Ni atoms to form CoPr6Co2Ni4 cuboctahedra that share corners with eight equivalent NiPr6Co4Ni2 cuboctahedra, corners with ten equivalent CoPr6Co2Ni4 cuboctahedra, edges with six equivalent CoPr6Co2Ni4 cuboctahedra, faces with six equivalent CoPr6Co2Ni4 cuboctahedra, and faces with twelve equivalent NiPr6Co4Ni2 cuboctahedra. Both Co–Co bond lengths are 2.55 Å. All Co–Ni bond lengths are 2.58 Å. Ni is bonded to six equivalent Pr, four equivalent Co, and two equivalent Ni atoms to form NiPr6Co4Ni2 cuboctahedra that share corners with eight equivalent CoPr6Co2Ni4 cuboctahedra, corners with ten equivalent NiPr6Co4Ni2 cuboctahedra, edges with six equivalent NiPr6Co4Ni2 cuboctahedra, faces with six equivalent NiPr6Co4Ni2 cuboctahedra, and faces with twelve equivalent CoPr6Co2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.58 Å.},
doi = {10.17188/1684454},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}