MAGNDATA arrow Collection of Magnetic Structures


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

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Fe2Se2O7 (#0.806)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: K. Nawa, M. Avdeev, P. Berdonosov, A. Sobolev, I. Presniakov, A. Aslandukova, E. Kozlyakova, A. Vasiliev, I. Shchetinin, T.J. Sato, Sci. Rep. (2021) 11 24049
DOI: 10.1038/s41598-021-03058-5
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pccn (#56)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 105 K
Experiment Temperature: 4 K

Lattice parameters of the magnetic unit cell:
6.64 12.85 13.25 90 90 90
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pc'cn (#56.367) (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'mm (8.3.26)
    [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|
Fe1Fe0.250.250.33617(10)4mx,my,0-0.94(12)4.47(10)0.04.57
Fe2Fe0.250.750.21721(10)4mx,my,01.60(11)3.96(10)0.04.27
Fe3Fe0.03556(14)0.62435(11)0.02337(7)8mx,my,mz-0.22(6)-4.37(8)0.6(2)4.42

    [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 7


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Comments (symmetry):

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