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:   

KFeCl5(D2O) (#0.363)

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: M. Gabas, F. Palacio, J. Rodriguez-Carvajal and D. Visser, Journal of Physics: Condensed Matter (1995) 7 4725-4738.
DOI: 10.1088/0953-8984/7/24/012
Atomic positions from: ICSD #81021

Parent space group (paramagnetic phase): Pnma (#62)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 14.2 K
Experiment Temperature: 1.6 K

Lattice parameters of the magnetic unit cell:
13.43910 9.59810 6.97970 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'm'a' (#62.449) (standard setting)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m'm'm' (8.5.28)
    [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|
Fe1Fe0.115400.250000.195004mx,0,mz3.9(1)0.00.03.90

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM1- 1 1 primary 2


Comments:
Comments (symmetry):

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