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

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Pb2BaCuFeO5Cl (#2.46)

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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(s):
k1 (1/2, 1/2, 1/2)
k2 (1/2, 1/2, 0)
Experiment Temperature: 5 K

Lattice parameters of the magnetic unit cell:
5.55040 5.55040 22.50820 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: PC2 (#3.6) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (b,-a,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2.1' (3.2.7)
    [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|
Fe1_1Fe0.000000.000000.159820.54mx,my,mz0.02.30.822.44
Fe1_2Fe0.000000.000000.659820.54mx,my,mz0.0-1.2-0.821.45

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mA5- 2 2 special primary 1
mA1- 1 1 primary 1
mM5- 2 2 special primary 1
mA5+ 2 2 special secondary 1 no
mM1- 1 1 secondary 1 no
mM5+ 2 2 special secondary 1 no


Comments:
Comments (symmetry):

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