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

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Ba(TiO)Cu4(PO4)4 (#1.235)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: P. Babkevich, L. Testa, K. Kimura, T. Kimura, G.S. Tucker, B. Roessli and H.M. Ronnow, Physical Review B (2017) 96 214436.
DOI: 10.1103/physrevb.96.214436
Atomic positions from: ICSD #239146

Parent space group (paramagnetic phase): P4212 (#90)
Propagation vector: k1 (0, 0, 1/2)

Transition Temperature: 9.5 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
9.60280 9.60280 14.24180 90.00 90.00 90.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pc42212 (#94.132) (standard setting)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 422.1' (12.2.41)
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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|
Cu1Cu0.267970.988060.2021016mx,my,mz0.56(2)0.03(1)-0.57(2)0.80

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mZ4 1 1 primary 3


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Comments (symmetry):

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