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: S. Baran, D. Kaczorowski, A. Arulraj, B. Penc and A. Szytula, Journal of Magnetism and Magnetic Materials (2009) 321 3256-3261.
DOI: 10.1016/j.jmmm.2009.05.064
Atomic positions from: ICSD #164587

Parent space group (paramagnetic phase): P-62m (#189)
Propagation vector(s):
k1 (1/2, 0, 0)
k2 (1/2, 1/2, 0)
k3 (0, 1/2, 0)

Transition Temperature: 4.2 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
14.0520 14.0520 4.1430 90.0000 90.0000 120.0000
Transformation from parent structure: (2a,2b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P-6'2m' (#189.224) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;1/2,1/2,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -6'm'2 (26.3.97)
    [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\|
Tm1_1	Tm	0.78800	0.50000	0.50000	3	m_x,0,0	-6.44	0.0	0.0	6.44
Tm1_2	Tm	0.28800	0.50000	0.50000	3	m_x,0,0	-6.44	0.0	0.0	6.44
Tm1_3	Tm	0.71200	0.21200	0.50000	6	m_x,m_y,0	-6.44	-6.44	0.0	6.44

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

Active Irreps:

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mM2	3	1	special-2	primary	3

Comments:

NPD
the model includes constraints between the three symmetry-independent magnetic atoms

Comments (symmetry):

3k magnetic structure
3k-maximal magnetic symmetry
1 secondary mode with magnetic irrep (mGM2 with dim 1) is symmetry allowed, but not present

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