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

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YBaCuFeO5 (#1.284)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: M.J. Ruiz-Aragon, E. Moran, U. Amador, J.L. Martinez, N.H. Andersen and H. Ehrenberg, Physical Review B (1998) 58 6291-6297.
DOI: 10.1103/physrevb.58.6291
Atomic positions from: same reference

Parent space group (paramagnetic phase): P4/mmm (#123)
Propagation vector: k1 (1/2, 1/2, 3/8)

Transition Temperature: 240 K
Experiment Temperature: 8 K

Lattice parameters of the magnetic unit cell:
7.73860 7.73860 61.1112 90.00 90.00 90.00
Transformation from parent structure: (2a,2b,8c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Ca2/m (#12.64) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,-1/2a+1/2c;0,0,1/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1' (5.2.13)
    [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|
Cu1_1Cu0.250000.250000.033550.516mx,0,mz0.00.00.00.00
Cu1_2Cu0.250000.250000.158550.516mx,0,mz0.00.00.00.00
Cu1_3Cu0.250000.250000.091450.516mx,0,mz0.00.00.00.00
Cu1_4Cu0.250000.250000.283550.516mx,0,mz0.00.00.00.00
Fe1_1Fe0.250000.250000.033550.516mx,0,mz1.920.01.352.35
Fe1_2Fe0.250000.250000.158550.516mx,0,mz-1.920.0-1.352.35
Fe1_3Fe0.250000.250000.091450.516mx,0,mz-1.920.0-1.352.35
Fe1_4Fe0.250000.250000.283550.516mx,0,mz1.920.01.352.35

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mV5 4 2 special primary 4
mV2 2 1 special primary 4
mV5(3k1) 4 2 special secondary 4 yes
mV2(3k1) 2 1 special secondary 4 yes


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Comments (symmetry):

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