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

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Fe0.945O (#1.582)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: W. L. Roth, PHYSICAL REVIEW (1958) 110 1333 - 1341
DOI: 10.1103/PhysRev.110.1333
Atomic positions from: ICSD #24698

Parent space group (paramagnetic phase): Fm-3m (#225)
Propagation vector: k1 (1/2, 1/2, 1/2)

Transition Temperature: 200 K
Experiment Temperature: 4.2 K

Lattice parameters of the magnetic unit cell:
8.54420 8.54420 8.54420 89.99 89.99 89.99
Transformation from parent structure: (2a,2b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: RI-3c (#167.108) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/4a-1/4b,1/4b-1/4c,a+b+c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -3m.1' (20.2.72)
    [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 typexyzOccupancyMultiplicitySymmetry constraints on MMxMyMz|M|
Fe1Fe0.000000.000000.000000.94532mx,mx,mx1.9151.9151.9153.32

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mL2+ 1 4 primary 1


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Comments (symmetry):

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