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

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BaFe2Se3 (#1.429)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: A. Krzton-Maziopa, E. Pomjakushina, V. Pomjakushin, D. Sheptyakov, D. Chernyshov, V. Svitlyk and K. Conder, Journal of Physics: Condensed Matter (2012) 24 059502.
DOI: 10.1088/0953-8984/24/5/059502
Atomic positions from: ICSD #185512

Parent space group (paramagnetic phase): Pnma (#62)
Propagation vector: k1 (1/2, 1/2, 1/2)

Transition Temperature: 240 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
23.78070 10.81600 18.27500 90.00 90.00 90.00
Transformation from parent structure: (2a,2b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cam (#8.36) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,-1/2a+1/2c;0,1/8,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m1' (4.2.10)
    [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|
Fe1_1Fe0.247020.000740.1763116mx,my,mz1.0.00.01.00
Fe1_2Fe0.002980.499260.4263116mx,my,mz-1.0.00.01.00
Fe1_3Fe0.252980.250740.3236916mx,my,mz-1.0.00.01.00
Fe1_4Fe0.497020.249260.0736916mx,my,mz-1.0.00.01.00

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mR1R2 4 4 special primary 12


Comments:
Comments (symmetry):

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