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: P. Fischer, T. Herrmannsdorfer, T. Bonelli, F. Fauth, L. Keller, E. Bauer and M. Giovannini, Journal of Physics: Condensed Matter (2000) 12 7089-7098.
DOI: 10.1088/0953-8984/12/31/310
Atomic positions from: same reference

Parent space group (paramagnetic phase): P4/mbm (#127)
Propagation vector: k1 (0, 0, 1/2)

Transition Temperature: 5 K
Experiment Temperature: 1.6 K

Lattice parameters of the magnetic unit cell:
7.72500 7.72500 7.81200 90.00 90.00 90.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P_bnma (#62.451) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (b,c,a;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: mmm.1' (8.2.25)
    [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\|
Pr1	Pr	0.17610	0.67610	0.25000	8	0,0,m_z	0.0	0.0	1.8(3)	1.80

[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
mZ5+	2	2	special	primary	1

Comments:

NPD
Positional structure from data at 10K

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (10 possible)
2-dim irrep along a special direction as primary irrep

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