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

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Fe0.48TiSe2 (#1.269)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: G. Calvarin, J. Gavarri, M.A. Buhannic, P. Colombet and M. Danot, Revue de Physique Appliquee (1987) 22 1131-1138.
DOI: 10.1051/rphysap:0198700220100113100
Atomic positions from: ICSD #68274

Parent space group (paramagnetic phase): I2/m (#12) (non-standard)
Transformation to a standard setting: (a+c,b,c;0,0,0)
    [View matrix form]
Propagation vector: k1 (-1/2, 0, 1/2)

Transition Temperature: 130 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
12.49840 3.57310 23.86480 90.00 89.58 90.00
Transformation from parent structure: (2a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cc2/c (#15.90) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/2a+1/2c,b,c;0,0,0)
    [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 typexyzOccupancyMultiplicitySymmetry constraints on MMxMyMz|M|
Fe1Fe0.000000.000000.000000.8828mx,0,mz0.00.03.05(5)3.05
Ti2Ti0.007650.000000.125200.96116mx,0,mz0.00.0-0.31(3)0.31

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mA2+ 1 1 primary 2


Comments:
Comments (symmetry):

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