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:   

BaNd2ZnS5 (#2.104)

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: M. Marshall, B. R. Billingsley, X. Bai, Q. Ma, T. Kong, H. Cao, Nature Communications (2023) 14 36141
DOI: 10.1038/s41467-023-39409-1
Atomic positions from: same reference

Parent space group (paramagnetic phase): I4/mcm (#140)
Propagation vector(s):
k1 (1/2, 1/2, 0)
k2 (-1/2, 1/2, 0)

Transition Temperature: 2.9 K
Experiment Temperature: 1.4 K

Lattice parameters of the magnetic unit cell:
15.6788 15.6788 13.6131 90.0000 90.0000 90.0000
Transformation from parent structure: (2a,2b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: PC4/nnc (#126.385) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (1/2a+1/2b,-1/2a+1/2b,c;1/4,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 4/mmm1' (15.2.54)
    [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|
Nd1Nd0.079150.329150.0000032mx,my,01.85(5)-1.85(5)0.02.62

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mX1- 2 1 special-2 primary 2


Comments:
Comments (symmetry):

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