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

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CoTa3S6 (#3.25)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: H. Takagi, R. Takagi, S. Minami, T. Nomoto, K. Ohishi, M.-T. Suzuki, Y. Yanagi, M. Hirayama, N. D. Khanh, K. Karube, H. Saito, D. Hashizume, R. Kiyanagi, Y. Tokura, R. Arita, T. Nakajima, S. Seki, Nature Physics (2023) 19 961 - 968
DOI: 10.1038/s41567-023-02017-3
Atomic positions from: same reference

Parent space group (paramagnetic phase): P6322 (#182)
Propagation vector(s):
k1 (1/2, 0, 0)
k2 (1/2, 1/2, 0)
k3 (0, 1/2, 0)

Transition Temperature: 24 K
Experiment Temperature: 5.5 K

Lattice parameters of the magnetic unit cell:
11.4800 11.4800 11.9300 90.00 90.00 120.00
Transformation from parent structure: (2a,2b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P32'1 (#150.27) (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: 32' (18.3.67)
    [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 typexyzOccupancyMultiplicitySymmetry constraints on MMxMyMz|M|
Co1_1Co0.66670.33330.25000.9220,0,mz0.00.01.61.60
Co1_2Co0.33330.16670.75000.926mx,my,mz1.560.78-0.533331.45

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mM4 3 1 special-2 primary 1
mM2 3 1 special-2 primary 2
mGM2 1 1 secondary 1 no


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