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

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NiCl2 (#1.247)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: M. McGuire, Crystals (2017) 7 121.
DOI: 10.3390/cryst7050121
Atomic positions from: ICSD #14208

Parent space group (paramagnetic phase): R-3m (#166)
Propagation vector: k1 (0, 0, 3/2)

Transition Temperature: 52 K

Lattice parameters of the magnetic unit cell:
3.48300 3.48300 34.80000 90.00 90.00 120.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cc2/c (#15.90) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (2/3a+1/3b+2/3c,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m1' (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|
Ni1Ni0.000000.000000.0000062my,my,mz2.441.220.02.11

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mT3+ 2 2 special primary 1
mT2+ 1 1 secondary 1 no


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