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

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Ca2Fe0.875Cr0.125GaO5 (#0.206)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: R. Dhal, P.N. Lekshmi, R. Singh, A. Das, A. Sinha and P. Santhosh, Journal of Solid State Chemistry (2018) 265 417-423.
DOI: 10.1016/j.jssc.2018.06.013
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pnma (#62)
Propagation vector: k1 (0, 0, 0)
Experiment Temperature: 6 K

Lattice parameters of the magnetic unit cell:
5.38660 14.63250 5.59720 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'm'a (#62.446) (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: m'm'm (8.4.27)
    [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|
Fe1Fe0.000000.000000.000000.794mx,my,mz3.15(2)0.00.03.15
Cr1Cr0.000000.000000.000000.124mx,my,mz3.15(2)0.00.03.15
Fe2Fe0.449600.250000.569100.094mx,0,mz0.93(4)0.00.00.93

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM2+ 1 1 primary 5


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Comments (symmetry):

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