MAGNDATA arrow Collection of Magnetic Structures


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

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ScFe2 (#0.1150)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: S. El Bidaoui, L.V.B. Diop, O. Isnard, Journal of Solid State Chemistry (2026) 354 125754
DOI: 10.1016/j.jssc.2025.125754
Atomic positions from: same reference

Parent space group (paramagnetic phase): P63/mmc (#194)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 530 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
4.96920 4.96920 8.12630 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C2'/c' (#15.89) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,a+2b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m' (5.5.16)
    [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|
Fe1Fe0.000000.000000.000002mx,my,mz0.7250.01.2561.45
Fe2_1Fe0.832000.664000.250002mx,0,mz0.740.01.2821.48
Fe2_2Fe0.336000.168000.250004mx,my,mz0.740.01.2821.48

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mGM2+ 1 1 primary 2
mGM6+ 2 2 special primary 3
mGM3+ 1 1 secondary 1 no
mGM5+ 2 2 special secondary 2 no


Comments:
Comments (symmetry):

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