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

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Nd2CuO4 (#1.406)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: T. Chattopadhyay, P. Brown and U. Kobler, Physica C: Superconductivity (1991) 177 294-296.
DOI: 10.1016/0921-4534(91)90482-e
Atomic positions from: ICSD #69886

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

Transition Temperature: 30 K
Experiment Temperature: 0.5 K

Lattice parameters of the magnetic unit cell:
7.87000 7.87000 12.14000 90.00 90.00 90.00
Transformation from parent structure: (2a,2b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: CAccm (#66.500) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-c,-1/2a+1/2b,1/2a+1/2b;1/8,7/8,1/4)
    [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 typexyzMultiplicitySymmetry constraints on MMxMyMz|M|
Nd1Nd0.000000.000000.3516016mx,mx,00.920.920.01.30
Cu1Cu0.000000.000000.000008mx,mx,00.330.330.00.47

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mX4+ 1 2 primary 2


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Comments (symmetry):

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