MAGNDATA arrow Collection of Magnetic Structures


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

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Cu3Y(SeO3)2O2Cl (#1.123)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: K.V. Zakharov, E.A. Zvereva, P.S. Berdonosov, E.S. Kuznetsova, V.A. Dolgikh, L. Clark, C. Black, P. Lightfoot, W. Kockelmann, Z.V. Pchelkina, S.V. Streltsov, O.S. Volkova and A.N. Vasiliev, Physical Review B (2014) 90 214417.
DOI: 10.1103/physrevb.90.214417
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pmmn (#59)
Propagation vector: k1 (0, 0, 1/2)

Transition Temperature: 35 K
Experiment Temperature: 5 K

Lattice parameters of the magnetic unit cell:
6.29910 9.44110 13.94480 90.00 90.00 90.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pcccn (#56.373) (standard setting)
    [View symmetry operations]
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:
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LabelAtom typexyzMultiplicitySymmetry constraints on MMxMyMz|M|
Cu1Cu0.000000.000000.000008mx,my,mz0.00.11(1)0.40(2)0.41
Cu2Cu0.250000.250000.3977540,0,mz0.00.0-1.04(4)1.04

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



Active Irreps:                                           
Irrep decomposition via


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