U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hf3Co by Materials Project
Abstract
Hf3Co is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded to eight Hf and four equivalent Co atoms to form distorted HfHf8Co4 cuboctahedra that share corners with twelve equivalent HfHf8Co4 cuboctahedra, edges with eight equivalent HfHf8Co4 cuboctahedra, edges with eight equivalent CoHf12 cuboctahedra, faces with four equivalent CoHf12 cuboctahedra, and faces with ten equivalent HfHf8Co4 cuboctahedra. There are four shorter (2.81 Å) and four longer (3.11 Å) Hf–Hf bond lengths. All Hf–Co bond lengths are 3.11 Å. In the second Hf site, Hf is bonded in a square co-planar geometry to eight equivalent Hf and four equivalent Co atoms. All Hf–Co bond lengths are 2.81 Å. Co is bonded to twelve Hf atoms to form CoHf12 cuboctahedra that share corners with four equivalent CoHf12 cuboctahedra, edges with eight equivalent CoHf12 cuboctahedra, edges with sixteen equivalent HfHf8Co4 cuboctahedra, faces with four equivalent CoHf12 cuboctahedra, and faces with eight equivalent HfHf8Co4 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1184729
- 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-Hf; Hf3Co; crystal structure
- OSTI Identifier:
- 1722149
- DOI:
- https://doi.org/10.17188/1722149
Citation Formats
Materials Data on Hf3Co by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722149.
Materials Data on Hf3Co by Materials Project. United States. doi:https://doi.org/10.17188/1722149
2020.
"Materials Data on Hf3Co by Materials Project". United States. doi:https://doi.org/10.17188/1722149. https://www.osti.gov/servlets/purl/1722149. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1722149,
title = {Materials Data on Hf3Co by Materials Project},
abstractNote = {Hf3Co is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded to eight Hf and four equivalent Co atoms to form distorted HfHf8Co4 cuboctahedra that share corners with twelve equivalent HfHf8Co4 cuboctahedra, edges with eight equivalent HfHf8Co4 cuboctahedra, edges with eight equivalent CoHf12 cuboctahedra, faces with four equivalent CoHf12 cuboctahedra, and faces with ten equivalent HfHf8Co4 cuboctahedra. There are four shorter (2.81 Å) and four longer (3.11 Å) Hf–Hf bond lengths. All Hf–Co bond lengths are 3.11 Å. In the second Hf site, Hf is bonded in a square co-planar geometry to eight equivalent Hf and four equivalent Co atoms. All Hf–Co bond lengths are 2.81 Å. Co is bonded to twelve Hf atoms to form CoHf12 cuboctahedra that share corners with four equivalent CoHf12 cuboctahedra, edges with eight equivalent CoHf12 cuboctahedra, edges with sixteen equivalent HfHf8Co4 cuboctahedra, faces with four equivalent CoHf12 cuboctahedra, and faces with eight equivalent HfHf8Co4 cuboctahedra.},
doi = {10.17188/1722149},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}