MAGNDATA arrow Collection of Magnetic Structures


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

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Fe0.25NbS2 (#0.1007)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: E. A. Lawrence, X. Huai, Do. Kim, M. Avdeev, Y. Chen, G. Skorupskii, A. Miura, A. Ferrenti, M. Waibel, S. Kawaguchi, N. Ng, B. Kaman, Z. Cai, L. Schoop, S. Kushwaha, F. Liu, T. T. Tran, H. Ji, Inorg. Chem. (2023) 62 18179 - 18188
DOI: 10.1021/acs.inorgchem.3c02652
Atomic positions from: same reference

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

Transition Temperature: 150 K
Experiment Temperature: 3 K

Lattice parameters of the magnetic unit cell:
6.6435(2) 6.6435(2) 12.0357(4) 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P63'/m'm'c (#194.268) (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: 6'/m'mm' (27.5.104)
    [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|
Fe1Fe0.000000.000000.000000.977(6)20,0,mz0.00.03.51(4)3.51

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM4+ 1 1 primary 1


Comments:
Comments (symmetry):

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