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

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Ba3Nb2NiO9 (#1.13)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: J. Hwang, E.S. Choi, F. Ye, C.R.D. Cruz, Y. Xin, H.D. Zhou and P. Schlottmann, Physical Review Letters (2012) 109.
DOI: 10.1103/physrevlett.109.257205
Atomic positions from: ICSD #240280

Parent space group (paramagnetic phase): P-3m1 (#164)
Propagation vector: k1 (1/3, 1/3, 3/2)

Transition Temperature: 4.9 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
17.2650 17.2650 14.1312 90.0000 90.0000 120.0000
Transformation from parent structure: (3a,3b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pc31c (#159.64) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (2/3a+1/3b,-1/3a+1/3b,c;1/9,2/9,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 3m1' (19.2.69)
    [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|
Ni1Ni0.000000.000000.2500018mx,2mx,mz0.851.70.01.47

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionaction
mH3 4 2 special primary


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Comments (symmetry):

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