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

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Sr2Fe3Se2O3 (#1.463)

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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 #4828

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

Transition Temperature: 92 K
Experiment Temperature: 55 K

Lattice parameters of the magnetic unit cell:
15.59260 10.20080 7.97900 90.00 90.00 90.00
Transformation from parent structure: (2a,b,2c;0,0,1/2)
    [View matrix form]

BNS Magnetic Space Group: Camc21 (#36.178) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (c,a,b;7/8,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mm21' (7.2.21)
    [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|
Fe1Fe0.000000.000000.750008mx,my,00.00.00.00.00
Fe2_1Fe0.128450.089300.0000080,0,mz0.00.03.01(1)3.01
Fe2_2Fe0.871550.910700.0000080,0,mz0.00.03.013.01

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mU2 2 2 special primary 4


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Comments (symmetry):

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