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

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Sr2CaIrO6 (#1.137)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: P. Kayser, M.J. Martinez-Lope, J.A. Alonso, M. Retuerto, M. Croft, A. Ignatov and M.T. Fernandez-Diaz, European Journal of Inorganic Chemistry (2013) 2014 178-185.
DOI: 10.1002/ejic.201301080
Atomic positions from: ICSD #190083

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 (1/2, 1/2, 0)

Transition Temperature: 58 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
11.53360 11.63200 8.17660 90.00 89.72 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;1/4,0,0)
    [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 typexyzOccupancyMultiplicitySymmetry constraints on MMxMyMz|M|
Ir2_1Ir0.250000.000000.500000.954mx,my,mz0.40.0-1.271.33
Ir2_2Ir0.000000.250000.000000.954mx,my,mz-0.40.01.271.33

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mD1-D2- 2 2 general primary 6


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Comments (symmetry):

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