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

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KNiF3 (#1.250)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: V. Scatturin, L. Corliss, N. Elliott and J. Hastings, Acta Crystallographica (1961) 14 19-26.
DOI: 10.1107/s0365110x61000036
Atomic positions from: ICSD #15426

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

Transition Temperature: 275 K
Experiment Temperature: 4.2 K

Lattice parameters of the magnetic unit cell:
8.02400 8.02400 8.02400 90.00 90.00 90.00
Transformation from parent structure: (2a,2b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Ic4/mcm (#140.550) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/2a+1/2b,-1/2a+1/2b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 4/mmm.1' (15.2.54)
    [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|
Ni1Ni0.000000.000000.0000080,0,mz0.00.02.222.22

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mR4+ 3 3 special primary 1


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Comments (symmetry):

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