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

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BaFe2O4 (#1.754)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: F. Orlandi, D. Delmonte, G. Calestani, E. Cavalli,, E. Gilioli, V. V. Shvartsman, P. Graziosi, S. Rampino, G. Spaggiari, C. Liu, W. Ren, S. Picozzi, M. Solzi, M. Casappa, F. Mezzadri, Nat. Commun. (2022) 13 7968
DOI: 10.1038/s41467-022-35669-5
Atomic positions from: same reference

Parent space group (paramagnetic phase): Cmc21 (#36)
Propagation vector: k1 (1, 0, 0)

Transition Temperature: 890.5 K
Experiment Temperature: 300 K

Lattice parameters of the magnetic unit cell:
19.06414(12) 8.45514(5) 5.39014(3) 90.00 90.00 90.00
Transformation from parent structure: (b,a,-c;1/4,1/4,0)
    [View matrix form]

BNS Magnetic Space Group: PCca21 (#29.109) (standard setting)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mm2.1' (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|
Fe1Fe0.79356(9)0.02985(17)0.528(2)8mx,my,mz0.0-3.740(4)0.03.74
Fe2Fe-0.04074(9)0.03894(15)0.510(2)8mx,my,mz0.03.740(4)0.03.74

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mY4 1 1 primary 1


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Comments (symmetry):

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