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:   

Cu2MnSiS4 (#1.730)

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: Z. T. Messegee, J. S. Cho, A. J. Craig, V. O. Garlea, Y. Xin, C.-J. Kang, T. E. Proffen, H. Bhandari, J. C. Kelly, N. J. Ghimire, J. A. Aitken, J. I. Jang, X. Tan, Inorganic Chemistry (2023) 62 530 - 542
DOI: 10.1021/acs.inorgchem.2c03754
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pmn21 (#31)
Propagation vector: k1 (1/2, 0, 1/2)

Transition Temperature: 8 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
15.05240 6.42370 12.36340 90.00 90.00 90.00
Transformation from parent structure: (2a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pac (#7.27) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-c,b,1/2a+1/2c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m.1' (4.2.10)
    [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|
Mn1Mn0.000000.842000.333008mx,my,mz2.25(5)1.0(1)-3.18(5)4.02

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mU1 2 2 special primary 3


Comments:
Comments (symmetry):

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