MAGNDATA arrow Collection of Magnetic Structures

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

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CuB2O4 (#0.431)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

Reference: M. Boehm, B. Roessli, J. Schefer, A.S. Wills, B. Ouladdiaf, E. Lelievre-Berna, U. Staub and G.A. Petrakovskii, Physical Review B (2003) 68 024405.
DOI: 10.1103/physrevb.68.024405
Atomic positions from: ICSD #191850

Parent space group (paramagnetic phase): I-42d (#122)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 21 K
Experiment Temperature: 12 K

Lattice parameters of the magnetic unit cell:
11.484 11.484 5.62 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P1 (#1.1) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/2a+1/2b+1/2c,-1/2a+1/2b-1/2c,-1/2a-1/2b+1/2c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 1 (1.1.1)
    [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|

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

Active Irreps:                                           
Irrep decomposition via

labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mGM5 2 2 general primary 10
mGM1 1 1 primary 2
mGM2 1 1 secondary 1 no
mGM3 1 1 secondary 2 no
mGM4 1 1 secondary 3 no

Comments (symmetry):

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