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

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Sr2Fe3S2O3 (#2.75)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: H. Guo, M.T. Fernandez-Diaz, K.T. Lai, M. Valldor, A.C. Komarek, Journal of Magnetism and Magnetic Materials (2021) 532 167936
DOI: 10.1016/j.jmmm.2021.167936
Atomic positions from: ICSD #254367

Parent space group (paramagnetic phase): Pbam (#55)
Propagation vector(s):
k1 (0, 0, 1/2)
k2 (1/2, 1/2, 0)

Transition Temperature: 52.5 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
15.40600 19.80360 7.91120 90.00000 90.00000 90.00000
Transformation from parent structure: (2a,2b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: PA21/c (#14.83) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/2a-1/2b,c,-a;0,0,0)
    [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|
Fe1_1Fe0.000000.000000.000004mx,my,0-3.39(4)-1.6(2)0.03.75
Fe1_2Fe0.000000.000000.500004mx,my,0-3.39(4)-1.6(2)0.03.75
Fe1_3Fe0.750000.250000.500004mx,my,0-3.39(4)1.6(2)0.03.75
Fe1_4Fe0.750000.250000.000004mx,my,0-3.39(4)1.6(2)0.03.75
Fe2_1Fe0.128900.045280.2500016mx,my,mz1.50(3)0.19(8)3.27(2)3.60
Fe2_2Fe0.378900.204720.7500016mx,my,mz-1.50(3)-0.19(8)-3.27(2)3.60

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mZ3+ 1 1 primary 3
mS3+S4+ 2 2 general primary 8
mZ4+ 1 1 secondary 3 no


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