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

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Mn2FeReO6 (#0.544)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: A. M. Arevalo-Lopez, G. M. McNally, J. P. Attfield, Angew. Chem. Int. Ed. (2015) 54 12074 - 12077
DOI: 10.1002/anie.201506540
Atomic positions from: ICSD #195629

Parent space group (paramagnetic phase): P21/c (#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: 75 K
Experiment Temperature: 50 K

Lattice parameters of the magnetic unit cell:
5.1845(2) 5.3426(2) 7.5660(2) 90.00 90.079(7) 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P-1 (#2.4) (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: -1.1 (2.1.3)
    [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|
Mn1_1Mn0.495(1)0.5614(8)0.749(2)2mx,my,mz1.50(4)1.26(5)1.96(4)2.77
Mn1_2Mn0.0050.06140.7512mx,my,mz-1.5-1.26-1.962.77
Fe1_1Fe0.500000.000000.500001mx,my,mz2.54(8)-0.71(8)3.71(7)4.55
Fe1_2Fe0.000000.500000.000001mx,my,mz2.540.713.714.55
Re1_1Re0.500000.000000.000001mx,my,mz-0.44(3)-0.13(2)-0.65(5)0.80
Re1_2Re0.000000.500000.500001mx,my,mz-0.440.13-0.650.80

    [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
mGM2+ 1 1 primary 9


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