MAGNDATA arrow Collection of Magnetic Structures


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

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KyFe2-xSe2 (#0.55)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: V.Y. Pomjakushin, E.V. Pomjakushina, A. Krzton-Maziopa, K. Conder and Z. Shermadini, Journal of Physics: Condensed Matter (2011) 23 156003.
DOI: 10.1088/0953-8984/23/15/156003
Atomic positions from: same reference

Parent space group (paramagnetic phase): I4/m (#87)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 560 K
Experiment Temperature: 300 K

Lattice parameters of the magnetic unit cell:
8.73020 8.73020 14.11490 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: I4/m' (#87.78) (standard setting)
    [View symmetry operations]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 4/m' (11.4.38)
    [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 typexyzOccupancyMultiplicitySymmetry constraints on MMxMyMz|M|
Fe1Fe2+0.000000.500000.250000.06940,0,00.00.00.00.00
Fe2Fe2+0.295300.591000.249501.016mx,my,mz0.00.02.55(3)2.55

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepaction
mGM1- 1 1 primary


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Comments (symmetry):

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