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: J. Leciejewicz, A. Szytula, Solid State Communications (1984) 49 361 - 364
DOI: 10.1016/0038-1098(84)90587-8
Atomic positions from: same reference

Parent space group (paramagnetic phase): I4/mmm (#139)
Propagation vector(s):
k1 (1, 1, 1)
k2 (0, 0, 0)

Transition Temperature: 110 K
Experiment Temperature: 85 K

Lattice parameters of the magnetic unit cell:
4.006(2) 4.006(2) 10.842(8) 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P4/nm'm' (#129.417) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;1/4,1/4,1/4)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 4/mm'm' (15.6.58)
    [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\|
Mn1_1	Mn	0.00000	0.50000	0.25000	2	0,0,m_z	0.0	0.0	2.3(2)	2.30
Mn1_2	Mn	0.50000	0.00000	0.75000	2	0,0,m_z	0.0	0.0	-2.3(2)	2.30
Tb1	Tb	0.00000	0.00000	0.00000	2	0,0,m_z	0.0	0.0	7.8(3)	7.80

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM3+	1	1	primary	2
mM1-	1	1	primary	1

Comments:

NPD
Two other magnetic phases: AFM Mn ordering along z below 413K and AFM Tb ordering on the plane xy below 26K

Comments (symmetry):

2k magnetic structure
k-maximal symmetry
Two irreps as primary ones. One for the Mn ordering and one for the Tb ordering.

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