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:   

Nd2NiIrO6 (#1.680)

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: C. Ritter, S. Sharma, D. T. Adroja, PHYSICAL REVIEW MATERIALS (2022) 6 084405
DOI: 10.1103/PhysRevMaterials.6.084405
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 (1/2, 1/2, 0)

Transition Temperature: 15 K
Experiment Temperature: 1.5K K

Lattice parameters of the magnetic unit cell:
10.87320 11.35260 7.75850 90.00 89.99 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: (c,1/2a-1/2b,b;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -1.1' (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|
Ni1_1Ni0.000000.000000.500004mx,my,mz-1.84(8)0.0-0.72(6)1.98
Ni1_2Ni0.250000.250000.000004mx,my,mz1.84(8)0.0-0.72(6)1.98
Ir1_1Ir0.000000.000000.000004mx,my,mz0.0-0.37(5)0.00.37
Ir1_2Ir0.250000.250000.500004mx,my,mz0.00.37(5)0.00.37
Nd1_1Nd0.007000.281350.752008mx,my,mz0.0-1.98(2)0.32(5)2.01
Nd1_2Nd0.243000.531350.748008mx,my,mz0.01.98(2)0.32(5)2.01

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionactionnumber of modes
mE1+E2+ 2 2 general primary 18


Comments:
Comments (symmetry):

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