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

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NiTa2O6 (#1.112)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: Law, J.M., PHYSICAL REVIEW B (2014) 89 014423
DOI: 10.1103/PhysRevB.89.014423
Atomic positions from: ICSD #247807

Parent space group (paramagnetic phase): P42/mnm (#136)
Propagation vector: k1 (1/4, -1/4, 1/2)

Transition Temperature: 12 K
Experiment Temperature: 2.00(1) K

Lattice parameters of the magnetic unit cell:
18.86720 18.86720 18.24760 90.00 90.00 90.00
Transformation from parent structure: (4a,4b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pc21/c (#14.82) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/4a-1/4b-1/2c,1/4a+1/4b,c;0,1/8,0)
    [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|
Ni1_1Ni0.000000.000000.0000032mx,-mx,mz1.365-1.3650.01.93
Ni1_2Ni0.125000.125000.2500032mx,-mx,mz-1.3651.3650.01.93

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mS2 4 1 special primary 2
MS4 4 1 special primary 2


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Comments (symmetry):

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