Materials Data on HfZrFe4 by Materials Project
HfZrFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Fe atoms. All Hf–Zr bond lengths are 3.04 Å. All Hf–Fe bond lengths are 2.91 Å. Zr is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent Fe atoms. All Zr–Fe bond lengths are 2.91 Å. Fe is bonded to three equivalent Hf, three equivalent Zr, and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FeHf3Zr3Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.48 Å.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1687997
- Report Number(s):
- mp-1224188
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on ZrScFe4 by Materials Project
Materials Data on ZrTiCr4 by Materials Project
Materials Data on HfZrV4 by Materials Project
Dataset
·
Fri Jun 05 00:00:00 EDT 2020
·
OSTI ID:1746788
Materials Data on ZrTiCr4 by Materials Project
Dataset
·
Thu Sep 03 00:00:00 EDT 2020
·
OSTI ID:1758253
Materials Data on HfZrV4 by Materials Project
Dataset
·
Tue May 05 00:00:00 EDT 2020
·
OSTI ID:1705690