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

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Nd2ZnIrO6 (#0.879)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: H. Guo, C. Ritter, Y. Su, A. C. Komarek, J. S. Gardner, PHYSICAL REVIEW B (2021) 103 L060402
DOI: 10.1103/PhysRevB.103.L060402
Atomic positions from: Vogl et al., Phys. Rev. Mat. 4, 054413 (2020); DOI:10.1103/PhysRevMaterials.4.054413

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: 17 K
Experiment Temperature: 15.1 K

Lattice parameters of the magnetic unit cell:
10.91720 11.49260 7.78920 90.00 89.94 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,b;0,1/4,0)
    [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

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LabelAtom typexyzMultiplicitySymmetry constraints on MMxMyMz|M|
Nd1_1Nd0.009700.469150.249008mx,my,mz0.27(3)0.78(1)0.24(4)0.86
Nd1_2Nd0.240300.719150.251008mx,my,mz0.27(3)-0.78(1)0.24(4)0.86
Ir1_1Ir0.000000.250000.000004mx,my,mz-0.37(5)-0.36(3)0.08(4)0.52
Ir1_2Ir0.250000.000000.500004mx,my,mz-0.37(5)-0.36(3)-0.08(4)0.52

    [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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