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

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Nd2CuO4 (#2.78)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: S. Skanthakumar, H. Zhang, T. W. Clinton, W-H. Li, J. W. Lynn, Z. Fisk, S.-W. Cheong, Physica C (1989) 160 124 - 128
DOI: 10.1016/0921-4534(89)90180-9
Atomic positions from: ICSD #69886

Parent space group (paramagnetic phase): I4/mmm (#139)
Propagation vector(s):
K1 (1/2, 1/2, 0)
k2 (1/2, -1/2, 0)

Transition Temperature: 245 K
Experiment Temperature: 78 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: PC42/nnm (#134.481) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/2a+1/2b,-1/2a+1/2b,c;1/4,1/4,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 4/mmm.1' (15.2.54)
    [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,0,00.00.00.00.00
Cu1Cu0.000000.000000.000008mx,0,00.40.00.00.40

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mX4+ 2 1 special-2 primary 2


Comments:
Comments (symmetry):

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