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:   

MnPS3 (#0.163)

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: E. Ressouche, M. Loire, V. Simonet, R. Ballou, A. Stunault and A. Wildes, Physical Review B (2010) 82.
DOI: 10.1103/physrevb.82.100408
Atomic positions from: ICSD #61391

Parent space group (paramagnetic phase): C2/m (#12)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 78 K
Experiment Temperature: 10 K

Lattice parameters of the magnetic unit cell:
6.07700 10.52400 6.79600 90.00 107.35 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C2'/m (#12.60) (standard setting)
    [View symmetry operations]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m (5.3.14)
    [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|
Mn1Mn0.000000.332580.000004mx,0,mz1.990.04.64.43

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



Active Irreps:                                           
Irrep decomposition via


Comments:
Comments (symmetry):

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