Reference: Z. Gui, C. Gu, H. Cheng, J. Zhu, X. Yu, Er.Guo, L. Wu, J. Mei, J. Sheng, J. Zhang, J. Wang, Y. Zhao, L. Bellaiche, L. Huang, S. Wang, PHYSICAL REVIEW B (2022) 105 L180101 DOI: 10.1103/PhysRevB.105.L180101 Atomic positions from: same reference
Parent space group (paramagnetic phase): Fm-3m (#225) Propagation vector: k1 (1/2, 1/2, 0)
Transition Temperature: 270 K Experiment Temperature: 10 K
Lattice parameters of the magnetic unit cell:
5.7693(1) 2.9711(1) 4.1413(1) 90.00 90.00 90.00 Transformation from parent structure: (a+b,-1/2a+1/2b,c;1/2,3/4,1/4)
[View matrix form]
Transformation matrix from the setting of the parent structure (ap,bp,cp) to the working setting (a,b,c):
Two equivalent domain related descriptions including twin-related structural distortions are presented in the paper. Here only one of them is used.
The structure has a strong structural orthorhombic distortion according to the space group Pmmn, which is consistent with the MSG of the phase, and is concomitant with the magnetic transitions. It can therefore be in principle considered a magnetostructural effect induced by the magnetic ordering.
The structure is described in the standard setting of the MSG. Under this setting, the effective space group Pmmn for the nuclear structure is in a non-standard setting, with transformation to standard: (b,c,a;0,0,0).
The spin arrangement and corresponding MSG coincides with that reported previously (see #1.28). But the present model includes a structural distortion, which was mentioned in the previous reference but was not fully characterized. In fact, therein it was assigned a different space group not compatible with the resulting MSG of the spin arrangement and it would therefore break further the symmetry (see #1.28).