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

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Sr2Fe3Se2O3 (#2.76)

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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 #4829

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

Transition Temperature: 42.0(4) K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
15.5890 20.3958 7.9786 90.00 90.00 90.00
Transformation from parent structure: (2a,2b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Ccc (#9.40) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a+b,c,a;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m.1' (4.2.10)
    [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_1Fe0.00000.00000.00004mx,my,0-2.7(2)-1.9(2)0.03.30
Fe1_2Fe0.50000.50000.00004mx,my,0-2.7(2)-1.9(2)0.03.30
Fe1_3Fe0.25000.25000.00004mx,my,02.7(2)-1.9(2)0.03.30
Fe1_4Fe0.75000.75000.00004mx,my,02.7(2)-1.9(2)0.03.30
Fe2_1Fe0.13000.04500.25008mx,my,mz1.54(9)0.3(2)3.10(4)3.47
Fe2_2Fe0.38000.20500.75008mx,my,mz-1.54(9)-0.3(2)-3.10(4)3.47
Fe2_3Fe0.12010.29500.75008mx,my,mz-1.54(9)-0.3(2)-3.10(4)3.47
Fe2_4Fe0.87010.95500.25008mx,my,mz1.54(9)0.3(2)3.10(4)3.47

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mU2 2 2 general primary 8
mS3+S4+ 2 2 general primary 8
mS1-S2- 2 2 general secondary 4 no


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