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:   

KCuMnS2 (#2.44)

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. Virtue, X. Zhou, B. Wilfong, J.W. Lynn, K. Taddei, P. Zavalij, L. Wang and E.E. Rodriguez, Physical Review Materials (2019) 3 044411.
DOI: 10.1103/physrevmaterials.3.044411
Atomic positions from: same reference

Parent space group (paramagnetic phase): I4/mmm (#139)
Propagation vector(s):
k1 (1/2, 1/2, 0)
k2 (1/2, -1/2, 0)

Transition Temperature: 160 K
Experiment Temperature: 3.5 K

Lattice parameters of the magnetic unit cell:
5.57790 5.57790 13.23900 90.00 90.00 90.00
Transformation from parent structure: (a+b,-a+b,c;1/2,1/2,0)
    [View matrix form]

BNS Magnetic Space Group: PC4/mmm (#123.349) (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: 4/mmm.1' (15.2.54)
    [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|
Mn1Mn0.750000.250000.250000.58mx,mx,00.3270.3270.00.46

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mX1+ 2 1 special-2 primary 1


Comments:
Comments (symmetry):

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