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

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Pr0.5Sr0.5MnO3 (#1.273)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

Reference: K. Knizek, J. Hejtmanek, Z. Jirak, C. Martin, M. Hervieu, B. Raveau, G. Andre and F. Bouree, Chemistry of Materials (2004) 16 1104-1110.
DOI: 10.1021/cm034997r
Atomic positions from: ICSD #55388

Parent space group (paramagnetic phase): I4/mcm (#140)
Propagation vector: k1 (1/2, 1/2, 0)

Transition Temperature: 140 K
Experiment Temperature: 10 K

Lattice parameters of the magnetic unit cell:
7.51580 7.83590 7.68720 90.00 90.00 90.00
Transformation from parent structure: (a+b,c,a-b;0,1/2,0)
    [View matrix form]

BNS Magnetic Space Group: CAmcm (#63.468) (non-standard)
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Transformation to a standard setting: (-b,-c,a;1/4,0,1/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mmm1' (8.2.25)
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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

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LabelAtom typexyzMultiplicitySymmetry constraints on MMxMyMz|M|

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Active Irreps:                                           
Irrep decomposition via

labeldim. small irrepdim. full irrepactionnumber of modes
mX2+ 1 2 primary 1

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