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

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Cs2FeCl5.D2O (#0.252)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: O. Fabelo, J.A. Rodriguez-Velamazan, L. Canadillas-Delgado, L. Mazzuca, J. Campo, Á. Millan, L.C. Chapon and J. Rodriguez-Carvajal, Physical Review B (2017) 96 104428.
DOI: 10.1103/physrevb.96.104428
Atomic positions from: same reference

Parent space group (paramagnetic phase): C2/c (#15) (non-standard)
Transformation to a standard setting: (a+c,b,c;0,0,0)
    [View matrix form]
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 6.6 K
Experiment Temperature: 1.8 K

Lattice parameters of the magnetic unit cell:
17.05100 7.35270 16.13640 90.00 89.95 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C2'/c (#15.87) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a+c,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m (5.3.14)
    [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|
Fe1Fe0.878120.004100.625208mx,my,mz0.0-4.390.04.39

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM2- 1 1 primary 3


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Comments (symmetry):

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