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

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CaCoSO (#1.595)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: E. J. T. Salter, J. N. Blandy, S. J. Clarke, Inorg. Chem. (2016) 55 1697 - 1701
DOI: 10.1021/acs.inorgchem.5b02615
Atomic positions from: same reference

Parent space group (paramagnetic phase): P63mc (#186)
Propagation vector(s):
k1 (1/3, 1/3, 1/2)
k2 (0, 0, 1/2)
Experiment Temperature: 8 K

Lattice parameters of the magnetic unit cell:
6.464(4) 11.195(7) 22.17(1) 90.00 90.00 90.00
Transformation from parent structure: (-2a-b,-3b,2c;2/3,1/3,0)
    [View matrix form]

BNS Magnetic Space Group: Ccc (#9.40) (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: m1' (4.2.10)
    [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|
Co1_1Co0.833330.166670.000008mx,my,mz1.10(2)-1.90(4)-1.61(6)2.72
Co1_2Co0.333330.000000.000004mx,0,mz-2.20(5)0.01.61(6)2.73
Co1_3Co0.833330.166670.250008mx,my,mz1.10(2)1.90(4)-1.61(6)2.72
Co1_4Co0.333330.000000.250004mx,0,mz-2.20(5)0.01.61(6)2.73

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mH3 4 2 special primary 4
mH1H2 4 2 special secondary? 2 yes
mA2A3 2 2 general secondary 2 yes
mA5A6 4 4 special secondary 2 no


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