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

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CsNiCl3 (#1.0.4)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: W.B. Yelon and D.E. Cox, Physical Review B (1973) 7 2024-2027.
DOI: 10.1103/physrevb.7.2024
Atomic positions from: ICSD #59371

Parent space group (paramagnetic phase): P63/mmc (#194)
Propagation vector(s):
k1 (1/3, 1/3, 0)
k2 (0, 0, 0)

Transition Temperature: 4.85 K
Experiment Temperature: 4.5 K

Lattice parameters of the magnetic unit cell:
12.4205 21.5130 5.9440 90.0000 90.0000 90.0000
Transformation from parent structure: (a+2b,-3a,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C22'21' (#20.34) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,0,1/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'2'2 (6.3.19)
    [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_1Ni0.000000.000000.500004mx,0,mz0.00.0-0.60.60
Ni1_2Ni0.000000.333330.500004mx,0,mz0.20.00.350.40
Ni1_3Ni0.000000.666670.500004mx,0,mz-0.20.00.350.40

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionaction
mK3(k1) 2 1 primary
mK5(k1) 4 2 special primary
mGM4+(k2) 1 1 secondary


Comments:
Comments (symmetry):

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