MAGNDATA arrow Collection of Magnetic Structures


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

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CaOFeS (#1.472)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: S.F. Jin, Q. Huang, Z.P. Lin, Z.L. Li, X.Z. Wu, T.P. Ying, G. Wang and X.L. Chen, Physical Review B (2015) 91 094420.
DOI: 10.1103/physrevb.91.094420
Atomic positions from: ICSD #241435

Parent space group (paramagnetic phase): P63mc (#186)
Propagation vector: k1 (1/2, 1/2, 0)

Transition Temperature: 40 K
Experiment Temperature: 6 K

Lattice parameters of the magnetic unit cell:
7.50330 7.50330 11.38460 90.00 90.00 120.00
Transformation from parent structure: (2a,2b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: PCca21 (#29.109) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/2a-1/2b,1/2a+1/2b,c;0,1/4,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mm2.1' (7.2.21)
    [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|
Fe1Fe0.000000.000000.000008mx,-mx,mz0.00.02.59(3)2.59

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mM3 1 3 primary 2


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Comments (symmetry):

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