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

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TlMnO3 (#1.182)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: D.D. Khalyavin, P. Manuel, W. Yi and A.A. Belik, Physical Review B (2016) 94 134412.
DOI: 10.1103/physrevb.94.134412
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pm-3m (#221)
Propagation vector: k1 (0, 0, 1/2)

Transition Temperature: 92 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
7.35060 7.92500 10.55370 87.93290 47.40810 89.00470
Transformation from parent structure: (-2c,-2b,-2a-2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: PS-1 (#2.7) (standard setting)
    [View symmetry operations]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -1.1' (2.2.4)
    [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|
Mn1Mn0.500000.000000.000002mx,my,mz2.038-2.446-3.6253.71
Mn2Mn0.500000.500000.000002mx,my,mz2.038-2.446-3.6253.71
Mn3Mn0.000000.000000.000002mx,my,mz-2.0382.4463.6253.71
Mn4Mn0.000000.500000.000002mx,my,mz-2.0382.4463.6253.71

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mX3+ 3 1 special primary 2
mX5+ 2 2 special primary 4
mM3+ 3 1 special secondary 2 no
mX5+ 6 2 special secondary 4 no


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Comments (symmetry):

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