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

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(CH3NH3)(Co(COOH)3 (#0.369)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: L. Mazzuca, L. Canadillas-Delgado, O. Fabelo, J.A. Rodriguez-Velamazan, J. Luzon, O. Vallcorba, V. Simonet, C.V. Colin and J. Rodriguez-Carvajal, Chemistry - A European Journal (2017) 24 388-399.
DOI: 10.1002/chem.201703140
Atomic positions from: same reference

Parent space group (paramagnetic phase): P21/n (#14) (non-standard)
Transformation to a standard setting: (a,b,a+c;0,0,0)
    [View matrix form]
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 15.9 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
8.14760 8.22576 11.6347 90.0000 92.1946 90.0000
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P21'/c' (#14.79) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,a+c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m' (5.5.16)
    [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|
Co1Co0.0000000.5000000.0000002mx,my,mz-2.80(2)-0.27(18)0.88(16)2.98
Co2Co0.5000000.0000000.0000002mx,my,mz2.80(2)0.27(18)0.88(16)2.92

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM2+ 1 1 primary 6


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Comments (symmetry):

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