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

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CsFeCl3 (#1.0.14)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: S. Hayashida, O. Zaharko, N. Kurita, H. Tanaka, M. Hagihala, M. Soda, S. Itoh, Y. Uwatoko and T. Masuda, Physical Review B (2018) 97 140405.
DOI: 10.1103/physrevb.97.140405
Atomic positions from: ICSD #300249

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

Transition Temperature: 4.7 K
Experiment Temperature: 1.6 K

Lattice parameters of the magnetic unit cell:
21.73800 21.73800 6.04000 90.00 90.00 120.00
Transformation from parent structure: (3a,3b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P-6'2'm (#189.223) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (2/3a+1/3b,-1/3a+1/3b,c;8/9,7/9,1/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -6'm2' (26.4.98)
    [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|
Fe1Fe0.000000.000000.0000018mx,0,03.16(5)0.00.03.16

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mK6 4 2 special primary 1


Comments:
Comments (symmetry):

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