[Wien] Energy ordering of the Ni-3d

[Fecher, Gerhard]

The point group of fcc Ni in the magnetized case (along the easy axis [111]) is D3d(C3i)
(Shubnikov group 166.101), read for example A. P. Cracknell "Magnetism in Crystalline Materials",  Pergamon Press, 1975

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
________________________________________
Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Gavin Abo [gsabo at crimson.ua.edu]
Gesendet: Freitag, 26. Mai 2017 04:35
An: wien at zeus.theochem.tuwien.ac.at
Betreff: Re: [Wien] Energy ordering of the Ni-3d

> 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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