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

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V3O5 (#1.792)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: C. Aguilar-Maldonado, E. Solana-Madruga, C. Ritter, O. Mentre, Á. M. Arevalo-Lopez, Chem. Mater. (2022) 34 5294 - 5300
DOI: 10.1021/acs.chemmater.2c01030
Atomic positions from: same reference

Parent space group (paramagnetic phase): P2/c (#13)
Propagation vector: k1 (1/2, 1/2, 0)

Transition Temperature: 76 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
19.71770 10.06880 6.99456 90.00 109.4616 90.00
Transformation from parent structure: (2a,2b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Ca2/c (#15.91) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;1/4,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m1' (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|
V1V0.065700.003700.4109016mx,my,mz0.00.470.470.66
V2V0.185450.248550.0910016mx,my,mz0.0-0.380.981.05
V3V0.000000.250000.000008mx,my,mz0.0-1.170.531.28
V4V0.250000.000000.000008mx,my,mz0.01.170.531.28

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mC2- 1 1 primary 12


Comments:
Comments (symmetry):

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