Materials Data on Ni3Sb by Materials Project
Ni3Sb is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing NiSb4 trigonal pyramids. There are three shorter (2.60 Å) and one longer (2.66 Å) Ni–Sb bond lengths. In the second Ni1+ site, Ni1+ is bonded in a see-saw-like geometry to four equivalent Sb3- atoms. There are two shorter (2.66 Å) and two longer (2.68 Å) Ni–Sb bond lengths. Sb3- is bonded to twelve Ni1+ atoms to form a mixture of edge, face, and corner-sharing SbNi12 cuboctahedra.
- 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:
- 1281866
- Report Number(s):
- mp-672371
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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