U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hf6Al16Rh7 by Materials Project
Abstract
Hf6Rh7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a 4-coordinate geometry to four equivalent Hf, four equivalent Rh, and eight Al atoms. All Hf–Hf bond lengths are 3.23 Å. All Hf–Rh bond lengths are 3.18 Å. There are four shorter (2.84 Å) and four longer (3.18 Å) Hf–Al bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent Hf and eight Al atoms to form distorted RhHf4Al8 cuboctahedra that share corners with four equivalent RhHf4Al8 cuboctahedra, corners with eight equivalent AlHf3Rh4 tetrahedra, edges with four equivalent AlHf3Rh4 tetrahedra, and faces with eight equivalent RhHf4Al8 cuboctahedra. There are four shorter (2.51 Å) and four longer (2.70 Å) Rh–Al bond lengths. In the second Rh site, Rh is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Rh–Al bond lengths are 2.55 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to three equivalent Hf and four Rh atoms to form distorted AlHf3Rh4 tetrahedra that share corners with six equivalent RhHf4Al8 cuboctahedra, corners with seven equivalent AlHf3Rh4 tetrahedra, edges with three equivalent RhHf4Al8 cuboctahedra, edges withmore »
- Publication Date:
- Other Number(s):
- mp-983480
- 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; Al-Hf-Rh; Hf6Al16Rh7; crystal structure
- OSTI Identifier:
- 1316511
- DOI:
- https://doi.org/10.17188/1316511
Citation Formats
Materials Data on Hf6Al16Rh7 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1316511.
Materials Data on Hf6Al16Rh7 by Materials Project. United States. doi:https://doi.org/10.17188/1316511
2019.
"Materials Data on Hf6Al16Rh7 by Materials Project". United States. doi:https://doi.org/10.17188/1316511. https://www.osti.gov/servlets/purl/1316511. Pub date:Tue Oct 22 04:00:00 UTC 2019
@article{osti_1316511,
title = {Materials Data on Hf6Al16Rh7 by Materials Project},
abstractNote = {Hf6Rh7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a 4-coordinate geometry to four equivalent Hf, four equivalent Rh, and eight Al atoms. All Hf–Hf bond lengths are 3.23 Å. All Hf–Rh bond lengths are 3.18 Å. There are four shorter (2.84 Å) and four longer (3.18 Å) Hf–Al bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent Hf and eight Al atoms to form distorted RhHf4Al8 cuboctahedra that share corners with four equivalent RhHf4Al8 cuboctahedra, corners with eight equivalent AlHf3Rh4 tetrahedra, edges with four equivalent AlHf3Rh4 tetrahedra, and faces with eight equivalent RhHf4Al8 cuboctahedra. There are four shorter (2.51 Å) and four longer (2.70 Å) Rh–Al bond lengths. In the second Rh site, Rh is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Rh–Al bond lengths are 2.55 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to three equivalent Hf and four Rh atoms to form distorted AlHf3Rh4 tetrahedra that share corners with six equivalent RhHf4Al8 cuboctahedra, corners with seven equivalent AlHf3Rh4 tetrahedra, edges with three equivalent RhHf4Al8 cuboctahedra, edges with three equivalent AlHf3Rh4 tetrahedra, and faces with three equivalent AlHf3Rh4 tetrahedra. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Hf and three equivalent Rh atoms.},
doi = {10.17188/1316511},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {10}
}