MAGNDATA arrow Collection of Magnetic Structures


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

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YBaCuFeO5 (#1.285)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: Y-C Lai, C-H Du, C-H Lai, Y-H Liang, C-W Wang, K.C. Rule, H-C Wu, H-D Yang, W-T Chen, G.J. Shu et al., J. Phys.: Condens. Matter (2017) 29 145801
DOI: 10.1088/1361-648X/aa5708
Atomic positions from: ICSD #258424

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

Transition Temperature: 475 K
Experiment Temperature: 200 K

Lattice parameters of the magnetic unit cell:
7.73960 7.73960 15.29220 90.00 90.00 90.00
Transformation from parent structure: (2a,2b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: FSmmm (#69.526) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (b,-a,c;3/4,0,1/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mmm1' (8.2.25)
    [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|
Cu1Cu0.250000.250000.141550.516mx,0,00.964(3)0.00.00.96
Fe1Fe0.250000.250000.128200.516mx,0,02.775(4)0.00.02.77

    [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 2


Comments:
Comments (symmetry):

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