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

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BaFe2S2O (#0.987)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: B. D. Coles, A. D. Hillier, F. C. Coomer, N. C. Bristowe, S. Ramos, E. E. McCabe, PHYSICAL REVIEW B (2019) 100 024427
DOI: 10.1103/PhysRevB.100.024427
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pmmn (#59) (non-standard)
Transformation to a standard setting: (a,b,c;1/4,1/4,0)
    [View matrix form]
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 250 K
Experiment Temperature: 1.8 K

Lattice parameters of the magnetic unit cell:
3.9975(1) 9.5460(5) 6.4528(2) 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pm'm'n' (#59.411) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;1/4,1/4,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m'm'm' (8.5.28)
    [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|
Fe1Fe0.500000.6657(3)0.8823(3)40,my,mz0.0-3.16(3)-0.25(6)3.17

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM1- 1 1 primary 2


Comments:
Comments (symmetry):

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