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

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Ca2FeO3Br (#1.383)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: A.L. Hector, C.S. Knee, A.I. MacDonald, D.J. Price and M.T. Weller, Journal of Materials Chemistry (2005) 15 3093.
DOI: 10.1039/b505617a
Atomic positions from: same reference

Parent space group (paramagnetic phase): P4/nmm (#129)
Propagation vector: k1 (1/2, 1/2, 0)
Experiment Temperature: 2.4 K

Lattice parameters of the magnetic unit cell:
5.43639(7) 5.43639 14.6877(4) 90.00 90.00 90.00
Transformation from parent structure: (a+b,-a+b,c;-1/4,1/4,0)
    [View matrix form]

BNS Magnetic Space Group: PC-421m (#113.273) (standard setting)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -42m.1' (14.2.49)
    [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|
Fe1Fe0.250000.250000.18905(19)4mx,mx,02.465(20)2.4650.03.49

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mM1 2 2 special primary 1


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