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:   

Pr2CuO4 (#1.399)

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. Allenspach, S.W. Choeng, A. Dommann, P. Fischer, Z. Fisk, A. Furrer, H.R. Ott and B. Rupp, Zeitschrift f�r Physik B Condensed Matter (1989) 77 185-191.
DOI: 10.1007/bf01313661
Atomic positions from: same reference

Parent space group (paramagnetic phase): I4/mmm (#139)
Propagation vector: k1 (1/2, -1/2, 0)

Transition Temperature: 190-250 K
Experiment Temperature: 20 K

Lattice parameters of the magnetic unit cell:
7.91340 7.91340 12.19930 90.00 90.00 90.00
Transformation from parent structure: (2a,2b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: CAccm (#66.500) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (c,1/2a+1/2b,-1/2a+1/2b;1/8,1/8,1/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mmm.1' (8.2.25)
    [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|
Cu1Cu0.000000.000000.000008mx,-mx,0-0.2250.2250.00.32

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mX4+ 1 2 primary 1


Comments:
Comments (symmetry):

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