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: F. Zhu, X. Wang, M. Meven, J. Song, T. Mueller, C. Yi, W. Ji, Y. Shi, J. Ma, K. Schmalzl, W. F. Schmidt, Y. Su, T. Bruckel, PHYSICAL REVIEW RESEARCH (2020) 2 043100
DOI: 10.1103/PhysRevResearch.2.043100
Atomic positions from: same reference

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

Transition Temperature: 22 K
Experiment Temperature: 3 K

Lattice parameters of the magnetic unit cell:
4.512(3) 4.51283 22.23(13) 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P4₂'/m'm'c (#131.440) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;0,1/2,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 4'/m'm'm (15.5.57)
    [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\|
Eu1	Eu	0.00000	0.00000	0.1149(7)	4	0,0,m_z	0.0	0.0	7.7(1)	7.70
Mn1_1	Mn	0.00000	0.50000	0.25000	2	0,0,m_z	0.0	0.0	4.1(1)	4.10
Mn1_2	Mn	0.50000	0.00000	0.25000	2	0,0,m_z	0.0	0.0	-4.1(1)	4.10

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2-	1	1	primary	1
mM1-	1	1	primary	2

Comments:

NSD
The MSG mentioned in the paper for this phase corresponds only to the Eu spin arrangement. Here the actual MSG of the full structure, considering both the Mn and Eu moment arrangements is assigned and used in the structure description.

Comments (symmetry):

2k magnetic structure
k-maximal magnetic symmetry
Two irreps involved as primary ones, one associated with the ordering of Mn and the other with that of Eu.

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

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