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

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BaFe2Se3 (#1.120)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: J.M. Caron, J.R. Neilson, D.C. Miller, A. Llobet and T.M. McQueen, Physical Review B (2011) 84 180409.
DOI: 10.1103/physrevb.84.180409
Atomic positions from: ICSD #424315

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

Transition Temperature: 256 K
Experiment Temperature: 5 K

Lattice parameters of the magnetic unit cell:
23.76690 10.82820 18.28170 90.00 90.00 90.00
Transformation from parent structure: (2a,2b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cac (#9.41) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-b,a,-1/2b+1/2c;1/8,0,3/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m.1' (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_1Fe0.246350.001000.1767516mx,my,mz2.80(8)0.00.02.80
Fe1_2Fe0.003650.999000.4267516mx,my,mz-2.80.00.02.80
Fe1_3Fe0.753650.251000.8232516mx,my,mz-2.80.00.02.80
Fe1_4Fe0.496350.249000.0732516mx,my,mz-2.80.00.02.80

    [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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