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

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Fe2O3-alpha (#0.65)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: A.H. Hill, F. Jiao, P.G. Bruce, A. Harrison, W. Kockelmann and C. Ritter, Chemistry of Materials (2008) 20 4891-4899.
DOI: 10.1021/cm800009s
Atomic positions from: same reference

Parent space group (paramagnetic phase): R-3c (#167)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 955 K
Experiment Temperature: 300 K

Lattice parameters of the magnetic unit cell:
5.035128(4) 5.035128(4) 13.75809(10) 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C2'/c' (#15.89) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/3a+2/3b+2/3c,-a,-1/3a-2/3b+1/3c;0,1/2,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m' (5.5.16)
    [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|
Fe1Fe0.000000.000000.355322(16)12mx,my,mz4.118(6)0.00.04.12

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionpresence
mGM3+ 2 2 special primary
mGM2+ 1 1 secondary no


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Comments (symmetry):

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