MAGNDATA arrow Collection of Magnetic Structures


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

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PrFeAsO (#1.586)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: M. G. Kim, W. Ratcliff, D. M. Pajerowski, J.-W. Kim, J.-Q. Yan, J. W. Lynn, A. I. Goldman, A. Kreyssig, Physical Review B (2021) 103 174405
DOI: 10.1103/PhysRevB.103.174405
Atomic positions from: ICSD #162833

Parent space group (paramagnetic phase): Cmme (#67)
Propagation vector: k1 (1, 0, 0)

Transition Temperature: 21 K
Experiment Temperature: 3 K

Lattice parameters of the magnetic unit cell:
5.63740 5.60630 8.59660 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: PAcc2 (#27.85) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-c,b,a;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mm2.1' (7.2.21)
    [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|
Pr1Pr0.000000.250000.138504mx,0,mz1.0.00.01.00
Fe1Fe0.250000.000000.500004mx,0,00.50.00.00.50

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mY3- 1 1 primary 2
mY1+ 1 1 primary 1


Comments:
Comments (symmetry):

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