Materials Data on MnNiSb2 by Materials Project
MnNiSb2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent Sb2- atoms to form MnSb6 octahedra that share corners with twelve equivalent NiSb6 octahedra, edges with six equivalent MnSb6 octahedra, and faces with two equivalent NiSb6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Mn–Sb bond lengths are 2.73 Å. Ni2+ is bonded to six equivalent Sb2- atoms to form NiSb6 octahedra that share corners with twelve equivalent MnSb6 octahedra, edges with six equivalent NiSb6 octahedra, and faces with two equivalent MnSb6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ni–Sb bond lengths are 2.64 Å. Sb2- is bonded in a 6-coordinate geometry to three equivalent Mn2+ and three equivalent Ni2+ 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:
- 1707481
- Report Number(s):
- mp-1221333
- Country of Publication:
- United States
- Language:
- English
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