MAGNDATA arrow Collection of Magnetic Structures


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

Log in


  Element search (separate with space or comma):     View Full Database  Advanced Search

To upload any published structure click HERE


  Enter the label of the structure:   

Tb2Ti2O7 (#0.77)

view in Jmol
Download mcif file
Download vesta file (all atoms)
Download vesta file (magnetic atoms only)


working...


Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: A.P. Sazonov, A. Gukasov, H.B. Cao, P. Bonville, E. Ressouche, C. Decorse and I. Mirebeau, Physical Review B (2013) 88.
DOI: 10.1103/physrevb.88.184428
Atomic positions from: ICSD #151747

Parent space group (paramagnetic phase): Fd-3m (#227)
Propagation vector: k1 (0, 0, 0)
Experiment Temperature: 0.3 K

Lattice parameters of the magnetic unit cell:
10.13320 10.13320 10.13320 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: R-3m' (#166.101) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/2a-1/2c,-1/2a+1/2b,a+b+c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -3m' (20.5.75)
    [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|
Tb1_1Tb0.500000.500000.500004mx,mx,mx3.23.23.25.54
Tb1_2Tb0.250000.750000.0000012mx,mx,mz1.91.9-2.33.54

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mGM4+ 3 3 special primary 2
mGM2+ 1 1 secondary 1 yes


Comments:
Comments (symmetry):

Bilbao Crystallographic Server
https://www.cryst.ehu.es
For comments, please mail to
administrador.bcs@ehu.eus