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

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KCuMnS2 (#1.392)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: A. Virtue, X. Zhou, B. Wilfong, J.W. Lynn, K. Taddei, P. Zavalij, L. Wang and E.E. Rodriguez, Physical Review Materials (2019) 3 044411.
DOI: 10.1103/physrevmaterials.3.044411
Atomic positions from: same reference

Parent space group (paramagnetic phase): I4/mmm (#139)
Propagation vector: k1 (1/2, -1/2, 0)

Transition Temperature: 160 K
Experiment Temperature: 3.5 K

Lattice parameters of the magnetic unit cell:
7.88840 7.88840 13.23900 90.00 90.00 90.00
Transformation from parent structure: (2a,2b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: CAmmm (#65.490) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (c,1/2a+1/2b,-1/2a+1/2b;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mmm.1' (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 typexyzOccupancyMultiplicitySymmetry constraints on MMxMyMz|M|
Mn1Mn0.000000.250000.250000.516mx,-mx,00.327-0.3270.00.46

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mX1+ 1 2 primary 1


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Comments (symmetry):

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