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:   

Mn2Fe0.8Mo1.2O6 (#0.540)

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: M.R. Li, P. W. Stephens, M. Croft, Z. Deng, W. Li, C. Jin, M. Retuerto, J. P. Hodges, C. E. Frank, M. Wu, D. Walker, M. Greenblatt, Chem. Mater. (2018) 30 4508 - 4514
DOI: 10.1021/acs.chemmater.8b00250
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 (0, 0, 0)

Transition Temperature: 45 K
Experiment Temperature: 10 K

Lattice parameters of the magnetic unit cell:
5.211(1) 5.372(1) 7.594(1) 90.00 90.05(1) 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P21/c (#14.75) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,-a+c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1 (5.1.12)
    [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 typexyzOccupancyMultiplicitySymmetry constraints on MMxMyMz|M|
Mn1Mn0.0129(4)0.0531(3)0.2485(11)1.4mx,my,mz1.9(1)0.00.9(1)2.10
Fe1Fe0.000000.500000.000000.732(5)2mx,my,mz-0.4(1)2.6(2)0.02.63
Mo1Mo0.500000.000000.000001.2mx,my,mz0.0-0.8(1)0.00.80
Mo2Mo0.000000.500000.000000.2682mx,my,mz-0.42.60.02.63

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM1+ 1 1 primary 9


Comments:
Comments (symmetry):

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