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

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Ca2Mn3O8 (#1.431)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: L.J.V. Stimpson, E.E. Rodriguez, C.M. Brown, G.B.G. Stenning, M. Jura and D.C. Arnold, Journal of Materials Chemistry C (2018) 6 4541-4548.
DOI: 10.1039/c7tc05187e
Atomic positions from: same reference

Parent space group (paramagnetic phase): C2/m (#12)
Propagation vector: k1 (1/2, 1/2, 0)

Transition Temperature: 58 K
Experiment Temperature: 4 K

Lattice parameters of the magnetic unit cell:
22.0154 11.6804 4.937 90.00 109.738 90.00
Transformation from parent structure: (2a,2b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: PS-1 (#2.7) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (c,-1/4a+1/4b,-1/2a-1/2b;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -1.1' (2.2.4)
    [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|
Mn1Mn0.000000.000000.500008mx,my,mz2.5(2)0.00.02.50
Mn2Mn0.000000.131000.0000016mx,my,mz-2.1(2)0.0-0.57(5)1.98

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mV1+ 1 2 primary 1


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Comments (symmetry):

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