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

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Pb2BaCuFeO5Br (#1.393)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: R.K. Li, L. Gu and C. Greaves, Physical Review B (2002) 65 104439.
DOI: 10.1103/physrevb.65.104439
Atomic positions from: same reference

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

Transition Temperature: 423 K
Experiment Temperature: 290 K

Lattice parameters of the magnetic unit cell:
5.58570 5.58570 23.14400 90.00 90.00 90.00
Transformation from parent structure: (a-b,a+b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Ibmma (#74.562) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (b,c,a;0,0,1/4)
    [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|
Fe1Fe0.000000.000000.161840.580,my,00.01.01(3)0.01.01

    [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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