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

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NiS2 (#0.150)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: S. Yano, D. Louca, J. Yang, U. Chatterjee, D.E. Bugaris, D.Y. Chung, L. Peng, M. Grayson and M.G. Kanatzidis, Physical Review B (2016) 93.
DOI: 10.1103/physrevb.93.024409
Atomic positions from: ICSD #76684

Parent space group (paramagnetic phase): Pa-3 (#205)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 39 K

Lattice parameters of the magnetic unit cell:
5.68700 5.68700 5.68700 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pa-3 (#205.33) (standard setting)
    [View symmetry operations]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m-3.1 (29.1.109)
    [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|
Ni1Ni0.000000.000000.000004mx,mx,mx0.5690.5690.5690.99

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



Active Irreps:                                           
Irrep decomposition via


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