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

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Fe2Se2O7 (#0.808)

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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: 90 K

Lattice parameters of the magnetic unit cell:
6.64 12.85 13.27 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|
Fe1Fe0.250.250.33588(11)4mx,my,0-0.74(16)3.17(14)0.03.26
Fe2Fe0.250.750.21658(11)4mx,my,01.38(15)2.88(15)0.03.19
Fe3Fe0.03553(15)0.62427(12)0.02350(7)8mx,my,mz-0.32(9)-2.52(11)0.7(3)2.63

    [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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