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

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Pr2CuO4 (#1.398)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: D.E. Cox, A.I. Goldman, M.A. Subramanian, J. Gopalakrishnan and A.W. Sleight, Physical Review B (1989) 40 6998-7004.
DOI: 10.1103/physrevb.40.6998
Atomic positions from: ICSD #65925

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

Transition Temperature: 270 K
Experiment Temperature: 15 K

Lattice parameters of the magnetic unit cell:
5.59320 5.59320 12.17720 90.00 90.00 90.00
Transformation from parent structure: (a+b,-a+b,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,b,a;1,3/4,1/4)
    [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|
Cu1Cu0.000000.000000.000004mx,0,00.480.00.00.48

    [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 1


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