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

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VNb3S6 (#2.72)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: A. E. Hall, D. D. Khalyavin, P. Manuel, D. A. Mayoh, F. Orlandi, O. A. Petrenko, M. R. Lees, G. Balakrishnan, PHYSICAL REVIEW B (2021) 103 174431
DOI: 10.1103/PhysRevB.103.174431
Atomic positions from: ICSD #42650

Parent space group (paramagnetic phase): P6322 (#182)
Propagation vector(s):
k1 (0, 0, 0)
k2 (0, 0, 1/3)

Transition Temperature: 50 K
Experiment Temperature: 5 K

Lattice parameters of the magnetic unit cell:
5.73870 5.73870 36.33780 90.00 90.00 120.00
Transformation from parent structure: (a,b,3c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C2'2'21 (#20.33) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,a+2b,c;0,0,1/3)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'2'2 (6.3.19)
    [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_1V0.333330.666670.083332mx,0,mz0.90(5)0.01.21(12)1.51
V1_2V0.666670.333330.250004mx,my,mz-0.90.0-0.61(6)1.09

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mGM5 2 2 special primary 1
mDT2 2 1 special primary 1
mGM2 1 1 secondary 1 no
mDT4 2 1 special secondary 1 no
mDT6 2 1 special secondary 1 no


Comments:
Comments (symmetry):

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