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

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Mn3ReO6 (#0.551)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: A. M. Arevalo-Lopez, F. Stegemann, J. P. Attfield, Chem. Commun. (2016) 52 5558 - 5560
DOI: 10.1039/c6cc01290f
Atomic positions from: same reference

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 (1/2, 1/2, 0)

Transition Temperature: 99 K
Experiment Temperature: 10 K

Lattice parameters of the magnetic unit cell:
10.54160 10.77380 7.71000 90.00 90.097 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,-1/2a+1/2b,-2a+b+2c;-1/4,0,1/2)
    [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|
Mn1_1Mn0.250550.225800.242908mx,my,mz-3.183.180.04.50
Mn1_2Mn0.999450.475800.257108mx,my,mz-3.183.180.04.50
Mn2_1Mn0.250000.000000.000004mx,my,mz1.411.410.01.99
Mn2_2Mn0.000000.250000.500004mx,my,mz-1.41-1.410.01.99
Re1_1Re0.250000.000000.500004mx,my,mz0.70.70.00.99
Re1_2Re0.000000.250000.000004mx,my,mz-0.7-0.70.00.99

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mE1-E2- 2 2 general primary 18


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