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:   

NdNiO3 (#1.45)

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: J.L. Garcia-Munoz, J. Rodriguez-Carvajal and P. Lacorre, Physical Review B (1994) 50 978-992.
DOI: 10.1103/physrevb.50.978
Atomic positions from: ICSD #67722

Parent space group (paramagnetic phase): Pbnm (#62) (non-standard)
Transformation to a standard setting: (b,c,a;0,0,0)
    [View matrix form]
Propagation vector: k1 (1/2, 0, 1/2)

Transition Temperature: 200 K
Experiment Temperature: 50 K

Lattice parameters of the magnetic unit cell:
10.7648 5.3861 15.2132 90.0000 90.0000 90.0000
Transformation from parent structure: (2a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Camc21 (#36.178) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-c,a,-b;5/8,0,7/8)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mm2.1' (7.2.21)
    [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|
Nd1_1Nd0.497000.038400.125008mx,my,00.00.00.00.00
Nd1_2Nd0.247000.46160.3750080,0,mz0.00.00.00.00
Ni1Ni0.250000.000000.0000016mx,my,mz0.94(4)0.00.00.94

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



Active Irreps:                                           
Irrep decomposition via


labeldim. full irrepdim. small irrepdirectionaction
mT1 2 2 special primary


Comments:
Comments (symmetry):

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