MAGNDATA arrow Collection of Magnetic Structures


MAGNDATA: A Collection of magnetic structures with portable cif-type files

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FePS3 (#1.183)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: D. Lançon, H.C. Walker, E. Ressouche, B. Ouladdiaf, K.C. Rule, G.J. McIntyre, T.J. Hicks, H.M. Ronnow and A.R. Wildes, Physical Review B (2016) 94 214407.
DOI: 10.1103/physrevb.94.214407
Atomic positions from: same reference

Parent space group (paramagnetic phase): C2/m (#12)
Propagation vector: k1 (0, 1, 1/2)

Transition Temperature: 120 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
5.94000 10.26000 13.20000 90.00 108.30 90.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cc2/m (#12.63) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-a-c,b,2a+c;0,0,1/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1' (5.2.13)
    [View symmetry operations]
Symmetry-adapted form of material tensors via
Symmetry-adapted form of material tensors for domain-related equivalent structures via

Positions and magnetic moments of symmetry independent atoms:
From now on, magnetic atoms are in boldface and colored in red. Magnetic moments are expressed in units of μB

     [Show only magnetic atoms]                                             Use MVISUALIZE to:
     [Show all the atoms]
                                        

LabelAtom typexyzMultiplicitySymmetry constraints on MMxMyMz|M|
Fe1Fe0.000000.327000.000008mx,0,mz1.490.04.764.52

    [Show all magnetic atoms in unit cell and their moment relations]



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mM2- 1 1 primary 2


Comments:
Comments (symmetry):

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