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

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Mn2FeReO6 (#0.548)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: M.-R. Li, M. Retuerto, Z. Deng, P. W. Stephens, M. Croft, Q. Huang, H. Wu, X. Deng, G. Kotliar, J. Sanchez-Benitez, J. Hadermann, D. Walker, M. Greenblatt, Angew. Chem. Int. Ed. (2015) 54 12069 - 12073
DOI: 10.1002/anie.201506456
Atomic positions from: ICSD #429765

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: 520(?) K
Experiment Temperature: 70 K

Lattice parameters of the magnetic unit cell:
5.19340 5.35670 7.57910 90.00 89.88 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

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LabelAtom typexyzOccupancyMultiplicitySymmetry constraints on MMxMyMz|M|
Mn1_1Mn0.990400.053000.240201.2mx,my,mz1.16(14)-1.46(11)1.07(17)2.15
Mn1_2Mn0.509600.553000.259801.2mx,my,mz-1.161.46-1.072.15
Fe1_1Fe0.500000.000000.500000.94461mx,my,mz3.27(5)0.03.274.63
Fe1_2Fe0.000000.500000.000000.94461mx,my,mz3.270.03.274.63
Re2_1Re0.500000.000000.000000.94461mx,my,mz-0.145(2)0.0-0.1450.21
Re2_2Re0.000000.500000.500000.94461mx,my,mz-0.1450.0-0.1450.21

    [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 9
mGM1+ 1 1 primary 9


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