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

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K0.8Fe1.8Se2 (#0.418)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: W. Bao, Q.-Z. Huang, G.-F. Chen, D.-M. Wang, J.-B. He and Y.-M. Qiu, Chinese Physics Letters (2011) 28 086104.
DOI: 10.1088/0256-307x/28/8/086104
Atomic positions from: same reference

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

Transition Temperature: 559 K
Experiment Temperature: 11 K

Lattice parameters of the magnetic unit cell:
8.6929(2) 8.6929 14.0168(4) 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]
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: 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|
Fe1Fe0.000000.500000.250000.062(8)40,0,00.00.00.00.00
Fe2Fe0.1979(3)0.0915(2)0.246741.008(4)16mx,my,mz0.00.03.31(2)3.31

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM1- 1 1 primary 3


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Comments (symmetry):

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