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:   

KyFe2-xSe2 (#0.52)

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: V.Y. Pomjakushin, E.V. Pomjakushina, A. Krzton-Maziopa, K. Conder and Z. Shermadini, Journal of Physics: Condensed Matter (2011) 23 156003.
DOI: 10.1088/0953-8984/23/15/156003
Atomic positions from: same reference

Parent space group (paramagnetic phase): I4/m (#87)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 560 K
Experiment Temperature: 300 K

Lattice parameters of the magnetic unit cell:
8.73020 8.73020 14.11490 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C2'/m' (#12.62) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-a-b,c,b;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m' (5.5.16)
    [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 typexyzOccupancyMultiplicitySymmetry constraints on MMxMyMz|M|
Fe1Fe0.000000.500000.250000.0694mx,my,00.00.00.00.00
Fe2_1Fe2+0.295300.591000.249501.08mx,my,mz0.00.02.57(3)2.57
Fe2_2Fe2+0.409000.295300.249501.08mx,my,mz0.00.0-2.572.57

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionaction
mGM3+GM4+ 2 2 general primary


Comments:
Comments (symmetry):

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