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

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Cs2NiU3F16 (#1.0.20)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: V.V. Klepov, K.A. Pace, S. Calder, J.B. Felder and H.-C. zur Loye, Journal of the American Chemical Society (2019) 141 3838-3842.
DOI: 10.1021/jacs.9b00345
Atomic positions from: same reference

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

Transition Temperature: 4.8 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
23.93340 23.93340 12.90390 90.00 90.00 120.00
Transformation from parent structure: (3a,3b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P63/mc'm' (#193.260) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/3a-1/3b,1/3a+2/3b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 6/mm'm' (27.6.105)
    [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|
U1_1U0.276720.553440.25000180,0,mz0.00.0-0.94(9)0.94
U1_2U0.276720.886780.25000360,0,mz0.00.00.940.94
Ni1_1Ni0.000000.000000.0000060,0,mz0.00.01.53(14)1.53
Ni1_2Ni0.000000.333330.00000120,0,mz0.00.0-1.531.53

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mK4 2 1 special primary 2
mGM2+ 1 1 secondary 2 yes


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Comments (symmetry):

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