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Mn2NiReO6 (#0.510)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: E. Solana-Madruga, K.N. Alharbi, M. Herz, P. Manuel and J.P. Attfield, Chemical Communications (2020) 56 12574-12577.
DOI: 10.1039/d0cc04756b
Atomic positions from: same reference

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: 42 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
5.2147 5.3608 7.6211 90.00 89.99 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:
     [Show all the atoms]
                                        

LabelAtom typexyzOccupancyMultiplicitySymmetry constraints on MMxMyMz|M|
Mn1Mn0.0400.0120.8161.4mx,my,mz3.31(3)0.02.21(3)3.98
Ni1Ni0.500000.000000.000000.8162mx,my,mz0.737(5)0.01.005(8)1.25
Re1Re0.500000.000000.500001.2mx,my,mz0.3680.00.5030.62

    [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


Comments:
Comments (symmetry):

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