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

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La2NiIrO6 (#1.662)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: S. Sharma, C. Ritter, D. T. Adroja, G. B. Stenning, A. Sundaresan, S. Langridge, PHYSICAL REVIEW MATERIALS (2022) 6 014407
DOI: 10.1103/PhysRevMaterials.6.014407
Atomic positions from: ICSD #79494

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: 74 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
11.1249 11.2410 7.88048 90.00 90.00 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;-1/4,0,1/2)
    [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|
Ni1_1Ni0.250000.000000.000004mx,my,mz1.30(5)0.22(6)0.43(22)1.39
Ni1_2Ni0.000000.250000.500004mx,my,mz1.30(5)0.22(6)0.43(22)1.39
Ir1_1Ir0.250000.000000.500004mx,my,mz0.14(6)0.32(8)0.14(24)0.38
Ir1_2Ir0.000000.250000.000004mx,my,mz0.14(6)0.32(8)0.14(24)0.38

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mE1+E2+ 2 2 general primary 12


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