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

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Ca3LiRuO6 (#0.239)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: S. Calder, D.J. Singh, V.O. Garlea, M.D. Lumsden, Y.G. Shi, K. Yamaura and A.D. Christianson, Physical Review B (2017) 96 184426.
DOI: 10.1103/physrevb.96.184426
Atomic positions from: ICSD #96219

Parent space group (paramagnetic phase): R-3c (#167)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 117 K
Experiment Temperature: 4 K

Lattice parameters of the magnetic unit cell:
9.23300 9.23300 10.74410 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C2'/c' (#15.89) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/3a+2/3b+2/3c,-a,-1/3a-2/3b+1/3c;0,1/2,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m' (5.5.16)
    [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|
Ru1Ru0.000000.000000.000006mx,my,mz2.8(1)0.00.02.80

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mGM3+ 2 2 special primary 2
mGM2+ 1 1 secondary 1


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Comments (symmetry):

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