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:   

CaBaFe4O7 (#0.1009)

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: N. Qureshi, B. Ouladdiaf, A. Senyshyn, V. Caignaert, M. B. Valldor, SciPost Phys. Core (2022) 5 007
DOI: 10.21468/SciPostPhysCore.5.1.007
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pbn21 (#33) (non-standard)
Transformation to a standard setting: (-b,a,c;0,0,0)
    [View matrix form]
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 274 K
Experiment Temperature: 220 K

Lattice parameters of the magnetic unit cell:
6.31350 11.01730 10.34970 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'a'21 (#33.148) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-b,a,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m'm'2 (7.4.23)
    [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|
Fe1Fe0.001000.000000.951604mx,my,mz0.0-1.0(2)3.1(1)3.26
Fe2Fe0.003000.178200.699704mx,my,mz0.0-1.0(2)-2.2(1)2.42
Fe3Fe0.293500.093400.194104mx,my,mz0.0-1.0(2)-2.2(1)2.42
Fe4Fe0.247100.913900.700704mx,my,mz0.0-1.0(2)-2.2(1)2.42

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM2 1 1 primary 12


Comments:
Comments (symmetry):

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