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

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Pr2CuO4 (#1.106)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: M. Matsuda, K. Yamada, K. Kakurai, H. Kadowaki, T.R. Thurston, Y. Endoh, Y. Hidaka, R.J. Birgeneau, M.A. Kastner, P.M. Gehring, A.H. Moudden and G. Shirane, Physical Review B (1990) 42 10098-10107.
DOI: 10.1103/physrevb.42.10098
Atomic positions from: ICSD #202884

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

Transition Temperature: 255 K
Experiment Temperature: 8 K

Lattice parameters of the magnetic unit cell:
7.92500 7.92500 12.23350 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;1/8,3/8,1/4)
    [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|
Pr1Pr0.000000.000000.3515016mx,mx,0-0.06-0.060.00.08
Cu1Cu0.000000.000000.000008mx,mx,00.280.280.00.40

    [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


Comments:
Comments (symmetry):

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