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

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K1.62Fe4O6.62(OH)0.38 (#0.503)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: R. Albrecht, J. Hunger, T. Block, R. Pottgen, A. Senyshyn, T. Doert and M. Ruck, ChemistryOpen (2019) 8 74-83.
DOI: 10.1002/open.201800229
Atomic positions from: same reference

Parent space group (paramagnetic phase): P-31c (#163)
Propagation vector: k1 (0, 0, 0)
Experiment Temperature: 4 K

Lattice parameters of the magnetic unit cell:
5.1714(1) 5.17140 13.885(2) 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P-31c (#163.79) (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: -3m.1 (20.1.71)
    [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|
Fe1Fe0.333330.666670.0000040,0,mz0.00.0-4.18(4)4.18
Fe2Fe0.000000.000000.11800(8)40,0,mz0.00.03.97(4)3.97

    [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 2


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Comments (symmetry):

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