MAGNDATA arrow Collection of Magnetic Structures


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

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Mn (#0.1028)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: S. Araki, K. Iwamoto, K. Akiba, T. C. Kobayashi, K. Munakata, K. Kaneko, T. Osakabe, Phys. Rev. B (2024) 110 094420
DOI: 10.1103/PhysRevB.110.094420
Atomic positions from: same reference

Parent space group (paramagnetic phase): I-43m (#217)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 52 K
Experiment Temperature: 2.8 K

Lattice parameters of the magnetic unit cell:
8.8284 8.8284 8.8284 90.000000 90.000000 90.000000
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: I-42'm' (#121.331) (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: -42'm' (14.5.52)
    [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|
Mn1Mn0.000000.000000.0000020,0,mz0.00.01.84(15)1.84
Mn2Mn0.318000.318000.318008mx,mx,mz-0.02(10)-0.02(10)-0.83(14)0.83
Mn3_1Mn0.358000.358000.037008mx,mx,mz-0.08(9)-0.08(9)0.14(11)0.18
Mn3_2Mn0.358000.037000.3580016mx,my,mz-0.27(7)-0.23(13)0.07(13)0.36
Mn4_1Mn0.088000.088000.280008mx,mx,mz-0.04(11)-0.04(11)-0.42(11)0.42
Mn4_2Mn0.088000.280000.0880016mx,my,mz-0.19(8)-0.15(8)-0.06(10)0.25

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mGM5 3 3 special primary 16


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