MAGNDATA arrow Collection of Magnetic Structures

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

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ScFeO3 (#0.57)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

Reference: M.-R. Li, U. Adem, S.R.C. McMitchell, Z. Xu, C.I. Thomas, J.E. Warren, D.V. Giap, H. Niu, X. Wan, R.G. Palgrave, F. Schiffmann, F. Cora, B. Slater, T.L. Burnett, M.G. Cain, A.M. Abakumov, G. van Tendeloo, M.F. Thomas, M.J. Rosseinsky and J.B. Claridge, Journal of the American Chemical Society (2012) 134 3737-3747.
DOI: 10.1021/ja208395z
Atomic positions from: ICSD #262384

Parent space group (paramagnetic phase): R3c (#161)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 360 K
Experiment Temperature: 300 K

Lattice parameters of the magnetic unit cell:
5.20250 5.20250 14.01450 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cc' (#9.39) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-1/3a-2/3b-2/3c,a,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m' (4.3.11)
    [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:
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LabelAtom typexyzOccupancyMultiplicitySymmetry constraints on MMxMyMz|M|

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

Active Irreps:                                           
Irrep decomposition via

labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mGM3 2 2 special primary 4
mGM2 1 1 secondary 2

Comments (symmetry):

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