Materials Data on V3(Ni10B3)2 by Materials Project
V3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. All V–Ni bond lengths are 2.51 Å. In the second V site, V is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All V–Ni bond lengths are 2.37 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to one V and three equivalent B atoms to form a mixture of edge and corner-sharing NiVB3 tetrahedra. All Ni–B bond lengths are 2.10 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to one V and two equivalent B atoms. Both Ni–B bond lengths are 2.05 Å. B is bonded in a 8-coordinate geometry to eight Ni 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:
- 1656396
- Report Number(s):
- mp-1192799
- Country of Publication:
- United States
- Language:
- English
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