MAGNDATA arrow Collection of Magnetic Structures


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

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CuFeS2 (#0.802)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: G. Donnay, L. M. Corliss, J. D. H. Donnay, N. Elliott, J. M. Hastings, Phys. Rev. (1958) 112 1917 - 1923
DOI: 10.1103/PhysRev.112.1917
Atomic positions from: ICSD #2518

Parent space group (paramagnetic phase): I-42d (#122)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 823 K
Experiment Temperature: 293 K

Lattice parameters of the magnetic unit cell:
5.28900 5.28900 10.42300 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: I-42d (#122.333) (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: -42m.1 (14.1.48)
    [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|
Fe1Fe0.000000.000000.5000040,0,mz0.00.03.853.85

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM1 1 1 primary 1


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Comments (symmetry):

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