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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.A. 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: Ccc (#9.40) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/3a+2/3b,a,-c;1/5,2/5,1/2)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m1' (4.2.10)
    [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|
V1_1V0.000000.000000.000006mx,2mx,mz0.00.01.21.20
V1_2V0.000000.333330.0000012mx,my,mz1.0390.0-0.61.20

    [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 2
mH2 2 1 special secondary?? 1 yes
mA2+ 1 1 secondary 1 no
mA3+ 2 2 special secondary 1 no


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Comments (symmetry):

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