U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on DyFeNi by Materials Project
Abstract
DyFeNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Dy, six equivalent Fe, and six equivalent Ni atoms. There are two shorter (3.07 Å) and two longer (3.12 Å) Dy–Dy bond lengths. There are four shorter (2.98 Å) and two longer (3.01 Å) Dy–Fe bond lengths. There are four shorter (2.84 Å) and two longer (3.11 Å) Dy–Ni bond lengths. Fe is bonded to six equivalent Dy, two equivalent Fe, and four equivalent Ni atoms to form FeDy6Fe2Ni4 cuboctahedra that share corners with eight equivalent NiDy6Fe4Ni2 cuboctahedra, corners with ten equivalent FeDy6Fe2Ni4 cuboctahedra, edges with six equivalent FeDy6Fe2Ni4 cuboctahedra, faces with six equivalent FeDy6Fe2Ni4 cuboctahedra, and faces with twelve equivalent NiDy6Fe4Ni2 cuboctahedra. Both Fe–Fe bond lengths are 2.38 Å. All Fe–Ni bond lengths are 2.56 Å. Ni is bonded to six equivalent Dy, four equivalent Fe, and two equivalent Ni atoms to form NiDy6Fe4Ni2 cuboctahedra that share corners with eight equivalent FeDy6Fe2Ni4 cuboctahedra, corners with ten equivalent NiDy6Fe4Ni2 cuboctahedra, edges with six equivalent NiDy6Fe4Ni2 cuboctahedra, faces with six equivalent NiDy6Fe4Ni2 cuboctahedra, and faces with twelve equivalent FeDy6Fe2Ni4 cuboctahedra. Both Ni–Ni bond lengthsmore »
- Publication Date:
- Other Number(s):
- mp-1225668
- 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; crystal structure; Dy-Fe-Ni; DyFeNi
- OSTI Identifier:
- 1652259
- DOI:
- https://doi.org/10.17188/1652259
Citation Formats
Materials Data on DyFeNi by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1652259.
Materials Data on DyFeNi by Materials Project. United States. doi:https://doi.org/10.17188/1652259
2020.
"Materials Data on DyFeNi by Materials Project". United States. doi:https://doi.org/10.17188/1652259. https://www.osti.gov/servlets/purl/1652259. Pub date:Wed Jul 22 20:00:00 EDT 2020
@article{osti_1652259,
title = {Materials Data on DyFeNi by Materials Project},
abstractNote = {DyFeNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Dy, six equivalent Fe, and six equivalent Ni atoms. There are two shorter (3.07 Å) and two longer (3.12 Å) Dy–Dy bond lengths. There are four shorter (2.98 Å) and two longer (3.01 Å) Dy–Fe bond lengths. There are four shorter (2.84 Å) and two longer (3.11 Å) Dy–Ni bond lengths. Fe is bonded to six equivalent Dy, two equivalent Fe, and four equivalent Ni atoms to form FeDy6Fe2Ni4 cuboctahedra that share corners with eight equivalent NiDy6Fe4Ni2 cuboctahedra, corners with ten equivalent FeDy6Fe2Ni4 cuboctahedra, edges with six equivalent FeDy6Fe2Ni4 cuboctahedra, faces with six equivalent FeDy6Fe2Ni4 cuboctahedra, and faces with twelve equivalent NiDy6Fe4Ni2 cuboctahedra. Both Fe–Fe bond lengths are 2.38 Å. All Fe–Ni bond lengths are 2.56 Å. Ni is bonded to six equivalent Dy, four equivalent Fe, and two equivalent Ni atoms to form NiDy6Fe4Ni2 cuboctahedra that share corners with eight equivalent FeDy6Fe2Ni4 cuboctahedra, corners with ten equivalent NiDy6Fe4Ni2 cuboctahedra, edges with six equivalent NiDy6Fe4Ni2 cuboctahedra, faces with six equivalent NiDy6Fe4Ni2 cuboctahedra, and faces with twelve equivalent FeDy6Fe2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.55 Å.},
doi = {10.17188/1652259},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}