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

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CaFe3O5 (#1.762)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: S. J. Cassidy, F. Orlandi, P. Manuel, S. J. Clarke, Nature Comm. (2019) 10 5475
DOI: 10.1038/s41467-019-13450-5
Atomic positions from: same reference

Parent space group (paramagnetic phase): Cmcm (#63)
Propagation vector: k1 (1/2, 0, 0)

Transition Temperature: 281 K
Experiment Temperature: 5 K

Lattice parameters of the magnetic unit cell:
6.05990(7) 10.04302(11) 12.58747(15) 90.00 90.00 90.00
Transformation from parent structure: (2a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pabca (#61.438) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;1/8,1/4,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mmm1' (8.2.25)
    [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|
Fe1Fe0.000000.26538(5)0.11094(4)16mx,my,mz0.00.0-4.124(4)4.12
Fe2Fe0.000000.000000.0000080,my,mz0.00.0-3.792(5)3.79

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mSM3 2 1 special primary 5


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Comments (symmetry):

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