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

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Pb5Fe3TiO11Cl (#0.435)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: M. Batuk, D. Batuk, A.M. Abakumov and J. Hadermann, Journal of Solid State Chemistry (2014) 215 245-252.
DOI: 10.1016/j.jssc.2014.04.002
Atomic positions from: ICSD #248568

Parent space group (paramagnetic phase): P4/mmm (#123)
Propagation vector: k1 (1/2, 1/2, 0)

Transition Temperature: 450(10) K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
7.80700 7.80700 19.26410 90.00 90.00 90.00
Transformation from parent structure: (2a,2b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: PBmma (#51.302) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-1/2a+1/2b,c,1/2a+1/2b;1/4,1/2,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mmm.1' (8.2.25)
    [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 typexyzOccupancyMultiplicitySymmetry constraints on MMxMyMz|M|
Fe1Fe0.000000.000000.194600.898mx,-mx,02.87-2.870.04.06
Fe2Fe0.000000.000000.396000.618mx,-mx,0-2.732.730.03.86

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mM5- 2 2 special primary 2


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Comments (symmetry):

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