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

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CrSBr (#1.802)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: S.A. Lopez-Paz, Z. Guguchia, V.Y. Pomjakushin, C. Witteveen, A. Cervellino, H. Luetkens, N. Casati, A.F. Morpurgo, F.O. von Rohr, Nature Communications (2022) 13 4745
DOI: 10.1038/s41467-022-32290-4
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pmmn (#59)
Propagation vector: k1 (0, 0, 1/2)

Transition Temperature: 140 K
Experiment Temperature: 1.8 K

Lattice parameters of the magnetic unit cell:
15.82410 4.74479 3.51206 90.00000 90.00000 90.00000
Transformation from parent structure: (2c,b,-a;1/2,0,0)
    [View matrix form]

BNS Magnetic Space Group: Panma (#62.450) (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: 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|
Cr1Cr0.564060.250000.7500040,My,00.03.09(1)0.03.09

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mZ4+ 1 1 special prinary 1


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Comments (symmetry):

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