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

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Ba3Fe3O7F (#1.181)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: O. Clemens, C. Reitz, R. Witte, R. Kruk and R.I. Smith, Journal of Solid State Chemistry (2016) 243 31-37.
DOI: 10.1016/j.jssc.2016.07.033
Atomic positions from: same reference

Parent space group (paramagnetic phase): P21/m (#11)
Propagation vector: k1 (0, 0, 1/2)
Experiment Temperature: 290 K

Lattice parameters of the magnetic unit cell:
10.10970 5.71230 13.96320 90.00 93.07 90.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pa21/m (#11.55) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (c,b,-a;0,0,1/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1' (5.2.13)
    [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|
Fe1Fe0.263600.250000.2476040,my,00.03.7(1)0.03.70
Fe2Fe0.880800.250000.1116540,my,00.0-3.5(1)0.03.50
Fe3Fe0.600300.250000.4143540,my,00.0-3.8(1)0.03.80

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mB2- 1 1 primary 3


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Comments (symmetry):

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