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 in a 4-coordinate geometry to six equivalent Ir and four equivalent As atoms. All Zr–Ir bond lengths are 3.06 Å. All Zr–As bond lengths are 2.65 Å. Ir is bonded in a distorted q6 geometry to six equivalent Zr and four equivalent As atoms. All Ir–As bond lengths are 2.65 Å. As is bonded in a distorted body-centered cubic geometry to four 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:
- 1738332
- Report Number(s):
- mp-1093990
- Country of Publication:
- United States
- Language:
- English
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