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

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CsNiCl3 (#1.0.42)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: V. J. Minkiewicz, D. E. Cox, G. Shirane, Solid State Communications (1970) 8 1001 - 1005
DOI: 10.1016/0038-1098(70)90505-3
Atomic positions from: ICSD #60262

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

Transition Temperature: 4.5 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
21.42000 21.42000 5.96000 90.00 90.00 120.00
Transformation from parent structure: (3a,3b,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: (1/3a+2/3b,-a,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_1Ni0.000000.000000.000006mx,2mx,mz0.00.0-1.4(2)1.40
Ni1_2Ni0.000000.333330.000006mx,2mx,mz0.71.40.71.40
Ni1_3Ni0.000000.666670.000006mx,2mx,mz-0.7-1.40.71.40

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mK3 2 1 special primary 1
mK5 4 2 special primary 1
mGM4+ 1 1 secondary 1 no
mGM6+ 2 2 special secondary 1 no
mK4 2 1 special secondary 1 no
mK6 4 2 special secondary 1 no


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Comments (symmetry):

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