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

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CaFe4Al8 (#0.236)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: V. Gvozdetskyi, A. Senyshyn, R. Gladyshevskii and V. Hlukhyy, Inorganic Chemistry (2018) 57 5820-5829.
DOI: 10.1021/acs.inorgchem.8b00208
Atomic positions from: same reference

Parent space group (paramagnetic phase): I4/mmm (#139)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 180 K
Experiment Temperature: 4 K

Lattice parameters of the magnetic unit cell:
8.75780 8.75780 8.75780 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: I4'/mmm' (#139.535) (standard setting)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 4'/mm'm (15.4.56)
    [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|
Fe1Fe0.250000.250000.250008mx,mx,mz0.037(68)0.0370.712(14)0.71

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM2+ 1 1 primary 2


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