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

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Sr2Fe3Se2O3 (#2.55)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: S.J. Cassidy, F. Orlandi, P. Manuel, J. Hadermann, A. Scrimshire, P.A. Bingham and S.J. Clarke, Inorganic Chemistry (2018) 57 10312-10322.
DOI: 10.1021/acs.inorgchem.8b01542
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: 52 K
Experiment Temperature: 20 K

Lattice parameters of the magnetic unit cell:
15.58900 20.39580 7.97860 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_1Fe0.000000.000000.000004mx,my,03.10(2)-1.34(7)0.03.38
Fe1_2Fe0.500000.500000.000004mx,my,03.1-1.340.03.38
Fe1_3Fe0.250000.750000.000004mx,my,0-3.1-1.340.03.38
Fe1_4Fe0.750000.250000.000004mx,my,0-3.1-1.340.03.38
Fe2_1Fe0.129950.955000.750008mx,my,mz-0.69(2)0.59(5)3.18(1)3.31
Fe2_2Fe0.379950.795000.250008mx,my,mz0.690.59-3.183.31
Fe2_3Fe0.120050.705000.250008mx,my,mz0.690.59-3.183.31
Fe2_4Fe0.870050.045000.750008mx,my,mz-0.690.593.183.31

    [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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