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

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YBaCuFeO5 (#1.281)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: A.W. Mombru, C. Christides, A. Lappas, K. Prassides, M. Pissas, C. Mitros and D. Niarchos, Inorganic Chemistry (1994) 33 1255-1258.
DOI: 10.1021/ic00085a008
Atomic positions from: ICSD #67978

Parent space group (paramagnetic phase): P4mm (#99)
Propagation vector: k1 (1/2, 1/2, 1/2)

Transition Temperature: 446 K
Experiment Temperature: 300 K

Lattice parameters of the magnetic unit cell:
7.74140 7.74140 15.34220 90.00 90.00 90.00
Transformation from parent structure: (2a,2b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: FSmm2 (#42.223) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (b,-a,c;3/4,0,0)
    [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|
Fe1Fe0.250000.250000.359008mx,0,02.51(15)0.00.02.51
Cu1Cu0.250000.250000.131008mx,0,00.00.00.00.00

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mA5 2 2 special primary 1


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Comments (symmetry):

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