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. Zhao, Q. Huang, C. de la Cruz, J. W. Lynn, M. D. Lumsden, Z. A. Ren, J. Yang, X. Shen, X. Dong, Z. Zhao, P. Dai, Physical Review B (2008) 78 132504
DOI: 10.1103/PhysRevB.78.132504
Atomic positions from: ICSD #162833

Parent space group (paramagnetic phase): Cmme (#67)
Propagation vector: k1 (1, 0, 0)

Transition Temperature: 14 K
Experiment Temperature: 5 K

Lattice parameters of the magnetic unit cell:
5.63740 5.60630 8.59660 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P_Bcca (#54.350) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (b,c,a;1/4,1/4,0)
    [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	0.00000	0.25000	0.13850	4	0,0,m_z	0.0	0.0	0.84(4)	0.84
Fe1	Fe	0.25000	0.00000	0.50000	4	m_x,0,0	0.48(9)	0.0	0.0	0.48

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mY3-	1	1	primary	2

Comments:

NPD
Fe moments order at 127K, while Pr becomes ordered below 14K
See #1.586 for a very different model for this phase obtained with NSD and XRMS

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary
Fe and Pr moments have different transition temperatures, but the reported spin arrangement involves a single irrep.

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