Materials Data on Ni2O5 by Materials Project
Ni2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ni is bonded to six O atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 47–65°. There are a spread of Ni–O bond distances ranging from 1.84–2.13 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent Ni atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Ni atoms. In the third O site, O is bonded in a trigonal planar geometry to two equivalent Ni and one O atom. The O–O bond length is 1.31 Å.
- 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:
- 1689491
- Report Number(s):
- mp-1094139
- Country of Publication:
- United States
- Language:
- English
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