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

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Na2BaCo(VO4)2 (#0.266)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: L.D. Sanjeewa, V.O. Garlea, M.A. McGuire, C.D. McMillen and J.W. Kolis, Inorganic Chemistry (2019) 58 2813-2821.
DOI: 10.1021/acs.inorgchem.8b03418
Atomic positions from: same reference

Parent space group (paramagnetic phase): P-3m1 (#164)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 4 K
Experiment Temperature: 0.3 K

Lattice parameters of the magnetic unit cell:
5.53600 5.53600 7.06110 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P-3m'1 (#164.89) (standard setting)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -3m' (20.5.75)
    [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|
Mn1Mn0.000000.000000.5000010,0,mz0.00.02.2(1)2.20

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM2+ 1 1 primary 1


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