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

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CaCu3Fe2Sb2O12 (#0.672)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: S. A. Larregola, J. Zhou, J. A. Alonso, V. Pomjakushin, J. B. Goodenough, Inorg. Chem. (2014) 53 4281 - 4283
DOI: 10.1021/ic500458m
Atomic positions from: ICSD #238048

Parent space group (paramagnetic phase): Pn-3 (#201)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 160 K
Experiment Temperature: 1.3 K

Lattice parameters of the magnetic unit cell:
7.48460 7.48460 7.48460 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'n'n (#48.260) (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: m'm'm (8.4.27)
    [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|
Cu1_1Cu0.250000.750000.7500020,0,mz0.00.0-0.93(4)0.93
Cu1_2Cu0.750000.250000.7500020,0,mz0.00.0-0.93(4)0.93
Cu1_3Cu0.750000.750000.2500020,0,mz0.00.0-0.93(4)0.93
Fe1Fe0.000000.000000.000004mx,my,mz0.00.04.33(4)4.33

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mGM4+ 3 3 special primary 6


Comments:
Comments (symmetry):

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