MAGNDATA Collection of Magnetic Structures

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RbNiCl3 (#1.0.41) view in Jmol Download mcif file Download vesta file (all atoms) Download vesta file (magnetic atoms only)

Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

• NPD and NSD
• Improved models were published later
• The direction of the spin basal component is undetermined. The one chosen in this paper, namely (1,2,0) corresponds to a maximal symmetry. The other non-equivalent direction that maximizes the symmetry is (1,1,0) (or equivalent), which implies a different MSG: Cm'c2_1' (N. 36.174). This alternative direction is the one chosen in a modified model of the structure (see #1.0.34).
• Although these two alternative models may be undistinguishable by NPD data, they are bound to exhibit quite different macroscopic properties: the Cm'c2_1' model is polar along c, which implies that some magnetically induced spontaneous polarization along this direction can exist, while the C22'2_1' model, reproduced here, is non-polar.

• 1k magnetic structure
• Two irreps as primary, i.e. two order parameters in the sense of Landau theory are present. One for the spin arrangement along c and another one for the one on the basal plane. Sucessive distinct phase transitions very close in temperature, corresponding to these two different order parameters, have been reported later.
• Four secondary irreps are symmetry-allowed, but are not present in the model.
• See #1.0.34 for a model of this structure with a non-zero contribution of one of these secondary irrep components, which breaks the exact 120 degrees spin rotation assumed in the present structure.
• Weak FM, corresponding to one of the secondary irreps is symmetry-allowed along the (1,2,0) direction.