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:   

CuFeO2 (#1.347)

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: S. Mitsuda, H. Yoshizawa, N. Yaguchi and M. Mekata, Journal of the Physical Society of Japan (1991) 60 1885-1889.
DOI: 10.1143/jpsj.60.1885
Atomic positions from: ICSD #246913

Parent space group (paramagnetic phase): R-3m (#166)
Propagation vector: k1 (1/4, -1/2, 3/2)

Transition Temperature: 10 K
Experiment Temperature: 4.6 K

Lattice parameters of the magnetic unit cell:
5.29490 6.11400 34.64000 90.00 90.00 90.00
Transformation from parent structure: (2a+b,2b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Ca2/c (#15.91) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (2/3a+1/3c,b,-1/3a+1/3c;7/4,-7/8,0)
    [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|
Fe1Fe0.000000.000000.0000024mx,0,mz0.00.0-4.0(2)4.00

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mY2 6 2 special primary 2


Comments:
Comments (symmetry):

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