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

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VCl2 (#1.237)

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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 #246905

Parent space group (paramagnetic phase): P-3m1 (#164)
Propagation vector: k1 (1/3, 1/3, 1/2)

Transition Temperature: 36 K
Experiment Temperature: 5 K

Lattice parameters of the magnetic unit cell:
10.74300 10.74300 11.59600 90.00 90.00 120.00
Transformation from parent structure: (3a,3b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pc31c (#159.64) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (2/3a+1/3b,-1/3a-2/3b,-c;1/9,2/9,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 3m.1' (19.2.69)
    [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|
V1V0.000000.000000.0000018mx,2mx,mz0.5351.070.00.93

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mH3 4 2 special primary 1
mA1- 1 1 secondary 1 no


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