Materials Data on CuNiSb2 by Materials Project
NiCuSb2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent Sb2- atoms to form distorted NiSb6 octahedra that share corners with twelve equivalent CuSb6 octahedra, edges with six equivalent NiSb6 octahedra, and faces with two equivalent CuSb6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Ni–Sb bond lengths are 2.63 Å. Cu2+ is bonded to six equivalent Sb2- atoms to form CuSb6 octahedra that share corners with twelve equivalent NiSb6 octahedra, edges with six equivalent CuSb6 octahedra, and faces with two equivalent NiSb6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Cu–Sb bond lengths are 2.75 Å. Sb2- is bonded in a 6-coordinate geometry to three equivalent Ni2+ and three equivalent Cu2+ 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:
- 1188422
- Report Number(s):
- mp-11834
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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