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

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Ca2Sr2IrO6 (#1.234)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: J. Sheng, F. Ye, C. Hoffmann, V.R. Cooper, S. Okamoto, J. Terzic, H. Zheng, H. Zhao and G. Cao, Physical Review B (2018) 97 235116.
DOI: 10.1103/physrevb.97.235116
Atomic positions from: same reference

Parent space group (paramagnetic phase): R-3 (#148)
Propagation vector: k1 (0, 1/2, 1)

Transition Temperature: 13.1 K
Experiment Temperature: 5 K

Lattice parameters of the magnetic unit cell:
9.57110 19.14220 11.39330 90.00 90.00 120.00
Transformation from parent structure: (a,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: (a,1/3a+1/3b-1/3c,-2/3a+1/3b+2/3c;0,0,0)
    [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 typexyzMultiplicitySymmetry constraints on MMxMyMz|M|
Ir1Ir0.000000.000000.000006mx,my,mz-0.33(2)-0.64(2)0.41(5)0.69
Ir2Ir0.000000.000000.500006mx,my,mz0.32(2)0.63(2)-0.34(5)0.64

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mF1+ 1 3 primary 6


Comments:
Comments (symmetry):

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