Materials Data on ZrCoSb by Materials Project
ZrCoSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr2+ is bonded to four equivalent Sb3- atoms to form ZrSb4 tetrahedra that share corners with four equivalent CoSb4 tetrahedra, corners with twelve equivalent ZrSb4 tetrahedra, and edges with six equivalent CoSb4 tetrahedra. All Zr–Sb bond lengths are 2.74 Å. Co1+ is bonded to four equivalent Sb3- atoms to form CoSb4 tetrahedra that share corners with four equivalent ZrSb4 tetrahedra, corners with twelve equivalent CoSb4 tetrahedra, and edges with six equivalent ZrSb4 tetrahedra. All Co–Sb bond lengths are 2.74 Å. Sb3- is bonded in a body-centered cubic geometry to four equivalent Zr2+ and four equivalent Co1+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1197596
- Report Number(s):
- mp-22377
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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