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

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Sr2CuO2Cu2S2 (#1.456)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: J. N. Blandy, S. Liu, C. F. Smura, S. J. Cassidy, D. N. Woodruff, J. E. McGrady, S. J. Clarke, Inorg. Chem. (2018) 57 15379 - 15388
DOI: 10.1021/acs.inorgchem.8b02698
Atomic positions from: same reference

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

Transition Temperature: unkown K
Experiment Temperature: 1.7 K

Lattice parameters of the magnetic unit cell:
5.61430 5.61430 37.57900 90.00 90.00 90.00
Transformation from parent structure: (a-b,a+b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Ic-42d (#122.338) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;1/4,1/4,-1/8)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -42m1' (14.2.49)
    [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|
Cu1Cu0.000000.000000.000008mx,0,00.39(6)0.00.00.39

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mP5 4 2 special primary 1


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Comments (symmetry):

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