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

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NiO (#3.28)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: V. Pomjakushin, Acta Cryst. B (2024) 80 385 - 392
DOI: 10.1107/S205252062400756X
Atomic positions from: same reference

Parent space group (paramagnetic phase): Fm-3m (#225)
Propagation vector(s):
k1 (1/2, 1/2, 1/2)
k2 (1/2, -1/2, 1/2)
k3 (1/2, 1/2, -1/2)

Transition Temperature: 525 K
Experiment Temperature: 1.8 K

Lattice parameters of the magnetic unit cell:
5.90046 5.90046 14.42656 90.00000 90.00000 120.00000
Transformation from parent structure: (a+c,b-c,-2a+2b+2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: RI-3c (#167.108) (standard setting)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -3m1' (20.2.72)
    [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_1Ni0.500000.000000.0000018Mx,2Mx,Mz-0.655(3)-1.310(6)1.619(7)1.98
Ni1_2Ni0.000000.000000.0000060,0,Mz0.00.0-1.977(8)1.98

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mL3+ 6 2 special primary 1
mL2+ 4 1 secondary 2 yes


Comments:
Comments (symmetry):

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