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:   

Ba2CoO2Cu2S2 (#1.501)

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: C. F. Smura, D. R. Parker, M. Zbiri, M. R. Johnson, Z. A. Gal, S. J. Clarke, J. Am. Chem. Soc. (2011) 133 2691 - 2705
DOI: 10.1021/ja109553u
Atomic positions from: same reference

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

Transition Temperature: 230 K
Experiment Temperature: 5K K

Lattice parameters of the magnetic unit cell:
8.09320 8.12040 18.75500 90.00 90.00 90.00
Transformation from parent structure: (2a,2b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: PS-1 (#2.7) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/4a-1/4b+1/2c,-1/4a+1/4b+1/2c,-1/2a-1/2b+c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -11' (2.2.4)
    [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. small irrepdim. full irrepactionnumber of modesis present?
mX3+ 1 1 primary 1 .
mX4+ 1 1 primary? 1 .
mX2+ 1 1 secondary? 1 yes
GM2+ 1 1 secondary ? yes

Comments (symmetry):

Bilbao Crystallographic Server
For comments, please mail to