MAGNDATA arrow Collection of Magnetic Structures


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

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Mn2Fe0.8Mo1.2O6 (#0.539)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: M.R. Li, P. W. Stephens, M. Croft, Z. Deng, W. Li, C. Jin, M. Retuerto, J. P. Hodges, C. E. Frank, M. Wu, D. Walker, M. Greenblatt, Chem. Mater. (2018) 30 4508 - 4514
DOI: 10.1021/acs.chemmater.8b00250
Atomic positions from: ICSD #264185

Parent space group (paramagnetic phase): P21/n (#14) (non-standard)
Transformation to a standard setting: (a,b,-a+c;0,0,0)
    [View matrix form]
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 194 K
Experiment Temperature: 60 K

Lattice parameters of the magnetic unit cell:
5.212(1) 5.372(1) 7.595(1) 90.00 90.05(1) 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P21/c (#14.75) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,-a+c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1 (5.1.12)
    [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:
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LabelAtom typexyzOccupancyMultiplicitySymmetry constraints on MMxMyMz|M|
Mn1Mn0.008030.051810.249031.4mx,my,mz0.00.00.00.00
Fe1Fe0.500000.000000.500000.7322mx,my,mz0.02.5(2)0.02.50
Mo1Mo0.500000.000000.000001.2mx,my,mz0.0-1.1(1)0.01.10
Mo2Mo0.500000.000000.500000.2682mx,my,mz0.02.50.02.50

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM1+ 1 1 primary 9


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