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

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Fe2O3-alpha (#0.66)

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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: 259.1(2) K
Experiment Temperature: 10 K

Lattice parameters of the magnetic unit cell:
5.034171(4) 5.034171(4) 13.73210(11) 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P-1 (#2.4) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,2/3a+1/3b+1/3c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -1.1 (2.1.3)
    [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|
Fe1_1Fe0.000000.000000.355080(17)6mx,my,mz0.781(17)0.04.149(9)4.22
Fe1_2Fe0.000000.000000.1449206mx,my,mz-0.781(17)0.0-4.149(9)4.22

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionpresence
mGM1+ 1 1 primary
mGM3+ 2 2 special primary
mGM2+ 1 1 secondary no


Comments:
Comments (symmetry):

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