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

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CuFe2(P2O7)2 (#1.297)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: N.E. Khayati, J. Rodriguez-Carvajal, F. Bouree, T. Roisnel, R. Cherkaoui, A. Boutfessi and A. Boukhari, Solid State Sciences (2002) 4 1273-1283.
DOI: 10.1016/s1293-2558(02)00015-8
Atomic positions from: ICSD #95689

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 (1/2, 0, 1/2)

Transition Temperature: 15.5 K
Experiment Temperature: 1.4 K

Lattice parameters of the magnetic unit cell:
13.18420 5.16060 31.27940 90.00 91.98 90.00
Transformation from parent structure: (2a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pa21/c (#14.80) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,3/2a+1/2c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1' (5.2.13)
    [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|
Cu1Cu0.000000.000000.000008mx,my,mz0.0-0.830.00.83
Fe1Fe0.167200.242300.0599516mx,my,mz0.0-4.880.04.88

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mY2+ 1 1 primary 6


Comments:
Comments (symmetry):

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