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

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Bi4Fe5O13F (#1.609)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: A. A,Tsirlin, I. Rousochatzakis, D. Filimonov, D. Batuk, M. Frontzek, A. M. Abakumov, PHYSICAL REVIEW B (2017) 96 094420
DOI: 10.1103/PhysRevB.96.094420
Atomic positions from: ICSD #189146

Parent space group (paramagnetic phase): P42/mbc (#135)
Propagation vector: k1 (1/2, 1/2, 0)

Transition Temperature: 178 K
Experiment Temperature: 75 K

Lattice parameters of the magnetic unit cell:
11.7192 11.7192 18.0501 90.0000 90.0000 90.0000
Transformation from parent structure: (a-b,a+b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: PC42/n (#86.73) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;1/4,1/4,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 4/m1' (11.2.36)
    [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|
Fe1_1Fe0.250000.250000.07838mx,my,0-1.393.620.03.88
Fe1_2Fe0.250000.750000.07838mx,my,01.760.680.01.89
Fe2_1Fe0.00570.84290.000008mx,my,0-1.831.590.02.42
Fe2_2Fe0.34290.00570.000008mx,my,0-1.06-2.1750.02.42
Fe3Fe0.250000.250000.250008mx,my,0-0.4-0.0070.00.40

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mM5- 2 2 special primary 10


Comments:
Comments (symmetry):

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