MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

MAGNDATA: A Collection of magnetic structures with portable cif-type files

Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

Reference: M. Wulff and G.H. Lander, The Journal of Chemical Physics (1988) 89 3295-3299.
DOI: 10.1063/1.454935
Atomic positions from: ICSD #71022

Parent space group (paramagnetic phase): P-3m1 (#164)
Propagation vector: k1 (1/2, 0, 1/2)

Transition Temperature: 19 K
Experiment Temperature: 10 K

Lattice parameters of the magnetic unit cell:
7.67600 3.83800 11.83600 90.00 90.00 120.00
Transformation from parent structure: (2a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C_c2/c (#15.90) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a+b+c,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1' (5.2.13)
    [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]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Pu1	Pu	0.16667	0.66667	0.12040	8	2m_y,m_y,m_z	0.0	0.0	0.60(2)	0.60

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mL2+	1	3	primary	2

Comments:

NPD
Position structure from a determination at 27K

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim small irrep as primary

Bilbao Crystallographic Server
https://www.cryst.ehu.es

For comments, please mail to
administrador.bcs@ehu.eus