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:   

NiCr2O4 (#1.685)

view in Jmol
Download mcif file
Download vesta file (all atoms)
Download vesta file (magnetic atoms only)


Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

Reference: M. Reehuis, M. Tovar, D. M. Tobbens, P. Pattison, A. Hoser, B. Lake, PHYSICAL REVIEW B? (2015) 91 024407
DOI: 10.1103/PhysRevB.91.024407
Atomic positions from: ICSD #241305

Parent space group (paramagnetic phase): I41/amd (#141)
Propagation vector: k1 (1, 1, 1)

Transition Temperature: 24 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
8.1661(2) 8.1794(2) 8.5623(2) 90.00 90.00 90.00
Transformation from parent structure: (c,a+b,-a+b;0,-3/2,0)
    [View matrix form]

BNS Magnetic Space Group: CA2221 (#20.37) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;7/8,1/8,1/8)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2221' (6.2.18)
    [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|

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

Active Irreps:                                           
Irrep decomposition via

labeldim. full irrepdim. small irrepdirectionactionnumber of modespresence
mM4 2 2 special primary 3
mM3 2 2 special secondary 2 no

Comments (symmetry):

Bilbao Crystallographic Server
For comments, please mail to