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

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Fe3(PO4)2(OH)2 (#0.392)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: M. Poienar, F. Damay, J. Rouquette, V. Ranieri, S. Malo, A. Maignan, E. Elkaïm, J. Haines and C. Martin, Journal of Solid State Chemistry (2020) 287 121357.
DOI: 10.1016/j.jssc.2020.121357
Atomic positions from: ICSD #91881

Parent space group (paramagnetic phase): P21/c (#14) (non-standard)
Transformation to a standard setting: (a,b,-a+c;0,0,0)
    [View matrix form]
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 160K K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
7.30650 7.50260 7.41050 90.00 118.49 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P21/c (#14.75) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,-a+c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1 (5.1.12)
    [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|
Fe1Fe0.000000.000000.000002mx,my,mz1.5(1)0.04.8(1)4.29
Fe2Fe0.275200.732700.007604mx,my,mz1.50.04.84.29

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM1+ 1 1 primary 6


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Comments (symmetry):

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