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

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CaCu3Ti4O12 (#1.775)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: A. Collomb, D. Samaras, B. Bochu, J. C. Joubert, phys. stat. sol. (a) (1977) 41 459 - 463
DOI: 10.1002/pssa.2210410215
Atomic positions from: ICSD #184280

Parent space group (paramagnetic phase): Im-3 (#204)
Propagation vector: k1 (1, 1, 1)

Transition Temperature: 27 K
Experiment Temperature: 2.5 K

Lattice parameters of the magnetic unit cell:
7.39140 7.39140 7.39140 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: RI-3 (#148.20) (non-standard)
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Transformation to a standard setting: (a-b,b-c,a+b+c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -31' (17.2.63)
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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|
Cu1Cu0.000000.500000.500006mx,my,mz0.420.310.80.96

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mH4+ 3 3 special primary 3


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Comments (symmetry):

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