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:   

MnSe2 (#1.0.48)

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: T. Chattopadhyay, J. Rossat-Mignod, H. Fjellvag, Solid State Communications (1987) 63 65 - 67
DOI: 10.1016/0038-1098(87)90067-6
Atomic positions from: ICSD #12959

Parent space group (paramagnetic phase): Pa-3 (#205)
Propagation vector(s):
k1 (1/3, 0, 0)
k2 (0, 0, 0)

Transition Temperature: 49 K
Experiment Temperature: 1.8 K

Lattice parameters of the magnetic unit cell:
19.28250 6.42750 6.42750 90.00 90.00 90.00
Transformation from parent structure: (3a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pca'21' (#29.102) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (b,-a,c;1/12,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m'm2' (7.3.22)
    [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
mDT4 6 1 special primary 3
mDT1 6 1 special primary 3
mGM4 3 3 special secondary 3 yes

Comments (symmetry):

Bilbao Crystallographic Server
For comments, please mail to