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 & Statistics

To upload any published structure click HERE

  Enter the label of the structure:   

Mn3Ni2Si (#1.695)

view in Jmol
Download mcif file
Download vesta file (all atoms)
Download vesta file (magnetic atoms only)


Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

Reference: M. Kolenda, A. Szytula, J. Leciejewicz, A., Pawlukojc, H. Ptasiewicz-Bak, Journal of Magnetism and Magnetic Materials (1990) 89 26 - 28
DOI: 10.1016/0304-8853(90)90701-Q
Atomic positions from: ICSD #643133

Parent space group (paramagnetic phase): Fd-3m (#227) (non-standard)
Transformation to a standard setting: (a,b,c;-1/8,-1/8,-1/8)
    [View matrix form]
Propagation vector: k1 (1/2, 1/2, 1/2)

Transition Temperature: 215 K
Experiment Temperature: 78 K

Lattice parameters of the magnetic unit cell:
21.51200 21.51200 21.51200 90.00 90.00 90.00
Transformation from parent structure: (2a,2b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cc2/m (#12.63) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/4a-1/2b+1/4c,1/4a-1/4c,1/2a+1/2c;-1/16,1/16,-1/16)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m1' (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|

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

Active Irreps:                                           
Irrep decomposition via

labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mL3- 8 2 special primary 6
mL2- 4 1 secondary 2 no

Comments (symmetry):

Bilbao Crystallographic Server
For comments, please mail to