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

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NiPS3 (#1.230)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: R. Brec, Solid State Ionics (1986) 22 3-30.
DOI: 10.1016/0167-2738(86)90055
Atomic positions from: ICSD #646133

Parent space group (paramagnetic phase): C2/m (#12)
Propagation vector: k1 (0, 1, 0)

Transition Temperature: 155 K

Lattice parameters of the magnetic unit cell:
5.81200 10.07000 6.63200 90.00 106.98 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: PC21/m (#11.57) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;1/4,1/4,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1' (5.2.13)
    [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|
Ni1Ni0.000000.333000.000004mx,0,mz0.00.01.1.00

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
Y2- 1 1 primary 2


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Comments (symmetry):

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