[Wien] Energy ordering of the Ni-3d

Gavin Abo gsabo at crimson.ua.edu
Fri May 26 04:35:03 CEST 2017


> Would you please let me know what the energy ordering of the Ni-3d sub 
> orbitals (dxz, dyz, dxy, d(x2-y2), dz2) is in the Ni FCC crystal 
> structure?

Sorry, for this, I don't know what your looking for.  Someone else might 
know.

The octahedral (Oh) splitting diagram?

https://en.wikipedia.org/wiki/Crystal_field_theory
https://chem.libretexts.org/Core/Inorganic_Chemistry/Crystal_Field_Theory/Crystal_Field_Theory 
(Figure 4)

> If am I am not wrong the point group symmetry of the Ni in the FCC 
> structure is D3d.

FCC Ni has Oh point group and HCP Ni has D3d point group? 
http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b08742


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