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

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TlFeS2 (#1.642)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: D. Welz, P. Deppe, W. Schaefer, H. Sabrowsky, M. Rosenberg, J. Phys. Chem. Solids (1989) 50 297 - 308
DOI: 10.1016/0022-3697(89)90492-7
Atomic positions from: ICSD #63381

Parent space group (paramagnetic phase): C2/m (#12)
Propagation vector: k1 (0, 1, 1/2)

Transition Temperature: 190(10) K
Experiment Temperature: 16 K

Lattice parameters of the magnetic unit cell:
13.68180 21.06000 5.32000 90.00 90.00 98.48
Transformation from parent structure: (2a+2b,2c,-b;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cc2/m (#12.63) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/2a-1/2b,-c,b;0,1/4,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1' (5.2.13)
    [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|
Fe1Fe0.000000.000000.2540016mx,my,0-0.781.570.01.85

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mM2- 1 1 primary 2


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Comments (symmetry):

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