Reference: A.S. Sukhanov, S. Singh, L. Caron, T. Hansen, A. Hoser, V. Kumar, H. Borrmann, A. Fitch, P. Devi, K. Manna, C. Felser and D.S. Inosov, Physical Review B (2018) 97 214402. DOI: 10.1103/physrevb.97.214402 Atomic positions from: ICSD #603343
Parent space group (paramagnetic phase): P63/mmc (#194) Propagation vector: k1 (0, 0, 0) Experiment Temperature: 300 K
Lattice parameters of the magnetic unit cell:
5.352 5.352 4.312 90.00 90.00 120.00 Transformation from parent structure: (a,b,c;0,0,0)
[View matrix form]
Transformation matrix from the setting of the parent structure (ap,bp,cp) to the working setting (a,b,c):
Spin arrangement at 2.25 GPa. Canting angle with respect to the xy plane: 40 degrees.
Between 1 and 4 GPa the canting angle along c uniformly increases.
Only very approximate values, taken in part from figures of the reference.
At zero pressure the phase is similar (a domain equivalent one) to the structure reported for Mn3Sn (see #0.200), with no spin canting. The spins lie on the xy plane and the structure has a higher magnetic space group (see #0.200), which forbids mz spin components.
Between 0 and 1 GPa, a pressure induced phase transition must take place into the lower symmetry of the present structure, which allows a spontaneous FM canting along c.
1k magnetic structure
The irrep mGM6+ corresponds to the spin arrangement without canting observed at zero pressure (see #0.200). The irrep mGM2+ is associated with the FM uniform mz component along c, which produces the spin canting and breaks further the symmetry.