MAGNDATA arrow Collection of Magnetic Structures


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

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Fe4O5 (#0.999)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: S. V. Ovsyannikov, M. Bykov, E. Bykova, D. P. Kozlenko, A. A. Tsirlin, A. E. Karkin, V. V. Shchennikov, S. E. Kichanov, H. GoU, A. M. Abakumov, R. Egoavi, J. Verbeeck, C. McCammon, V. Dyadkin, D. Chernyshov, S. van Smaalen, L. S. Dubrovinsky, Nature Chemistry (2016) 8 501 - 508
DOI: 10.1038/nchem.2478
Atomic positions from: same reference

Parent space group (paramagnetic phase): Cmcm (#63)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 320 K
Experiment Temperature: 150 K

Lattice parameters of the magnetic unit cell:
2.89060 9.80240 12.58040 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cm'c21' (#36.174) (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: m'm2' (7.3.22)
    [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|
Fe1Fe0.000000.505180.2500040,my,mz0.00.0-3.3.00
Fe2Fe0.000000.000000.0000040,my,mz0.00.03.3.00
Fe3_1Fe0.000000.260370.1174240,my,mz0.00.03.3.00
Fe3_2Fe0.000000.260370.3825840,my,mz0.00.03.3.00

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM3- 1 1 primary 3
mGM4+ 1 1 primary 5


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