Materials Data on ZrAsIr by Materials Project
ZrIrAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded to four equivalent Ir and six equivalent As atoms to form a mixture of distorted face and corner-sharing ZrAs6Ir4 tetrahedra. All Zr–Ir bond lengths are 2.67 Å. All Zr–As bond lengths are 3.09 Å. Ir is bonded in a distorted body-centered cubic geometry to four equivalent Zr and four equivalent As atoms. All Ir–As bond lengths are 2.67 Å. As is bonded in a distorted q6 geometry to six equivalent Zr and four equivalent Ir atoms.
- 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:
- 1740731
- Report Number(s):
- mp-1093991
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on ZrNiSn by Materials Project
Materials Data on ZrAsIr by Materials Project
Materials Data on ZrNiSn by Materials Project
Dataset
·
Wed May 10 00:00:00 EDT 2017
·
OSTI ID:1205168
Materials Data on ZrAsIr by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1738332
Materials Data on ZrNiSn by Materials Project
Dataset
·
Thu Jul 23 00:00:00 EDT 2020
·
OSTI ID:1313085