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-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Gavin Abo [gs...@crimson.ua.edu] Gesendet: Freitag, 26. Mai 2017 04:35 An: wien@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 _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html