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:   

Nd2NiIrO6 (#0.865)

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: P. Kayser, A. Munoz, J. L. Martinez, F. Fauth, M. T. Fernandez-Diaz, J. A. Alonso, Acta Materialia (2021) 207 116684
DOI: 10.1016/j.actamat.2021.116684
Atomic positions from: same reference

Parent space group (paramagnetic phase): P21/n (#14) (non-standard)
Transformation to a standard setting: (a,b,-a+c;0,0,0)
    [View matrix form]
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 121 K
Experiment Temperature: 5 K

Lattice parameters of the magnetic unit cell:
5.44390 5.68510 7.77770 90.00 90.03 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P21/c (#14.75) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,-a+c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m (5.1.12)
    [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 typexyzOccupancyMultiplicitySymmetry constraints on MMxMyMz|M|
Ni1Ni0.000000.000000.500000.872mx,my,mz0.01.4(2)0.01.40
Ir1Ir0.000000.000000.000000.872mx,my,mz0.00.01.6(2)1.60
Nd1Nd0.985800.438430.250201.4mx,my,mz0.98(10)0.4(2)0.38(14)1.12

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM1+ 1 1 primary 9


Comments:
Comments (symmetry):

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