MAGNDATA arrow Collection of Magnetic Structures


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

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Mn4N (#0.274)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: W.J. Takei, R.R. Heikes and G. Shirane, Physical Review (1962) 125 1893-1897.
DOI: 10.1103/physrev.125.1893
Atomic positions from: ICSD #642956

Parent space group (paramagnetic phase): Pm-3m (#221)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 745 K
Experiment Temperature: 77 K

Lattice parameters of the magnetic unit cell:
3.86700 3.86700 3.86700 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: R-3m' (#166.101) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a-b,b-c,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|
Mn1Mn0.000000.000000.000001mx,mx,mx2.222.222.223.85
Mn2Mn0.000000.500000.500003mx,mz,mz-0.52-0.52-0.520.90

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mGM4+ 3 3 special primary 3


Comments:
Comments (symmetry):

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