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

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Cu(NCS)2 (#1.278)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: M.J. Cliffe, J. Lee, J.A.M. Paddison, S. Schott, P. Mukherjee, M.W. Gaultois, P. Manuel, H. Sirringhaus, S.E. Dutton and C.P. Grey, Physical Review B (2018) 97 144421.
DOI: 10.1103/physrevb.97.144421
Atomic positions from: same reference

Parent space group (paramagnetic phase): P-1 (#2)
Propagation vector: k1 (1/2, 0, 1/2)

Transition Temperature: 12 K
Experiment Temperature: 1.4 K

Lattice parameters of the magnetic unit cell:
5.65640 6.93320 12.13540 34.24 82.37 70.04
Transformation from parent structure: (b,-a+c,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: PS-1 (#2.7) (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: -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

     [Show only magnetic atoms]                                             Use MVISUALIZE to:
     [Show all the atoms]
                                        

LabelAtom typexyzMultiplicitySymmetry constraints on MMxMyMz|M|
Cu1Cu0.000000.000000.000002mx,my,mz0.311(8)-0.413(17)0.278(16)0.30

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mU1+ 1 1 primary 3


Comments:
Comments (symmetry):

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