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: H. Masuda, H. Sakai, H. Takahashi, Y. Yamasaki, A. Nakao, T. Moyoshi, H. Nakao, Y. Murakami, T. Arima and S. Ishiwata, Physical Review B (2020) 101 174411.
DOI: 10.1103/physrevb.101.174411
Atomic positions from: ICSD #193593

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: 2 K

Lattice parameters of the magnetic unit cell:
4.5342 4.5342 22.427 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	0.11479	4	0,0,m_z	0.0	0.0	6.4	6.40
Mn1_1	Mn	0.00000	0.50000	0.25000	2	0,0,m_z	0.0	0.0	3.4	3.40
Mn1_2	Mn	0.50000	0.00000	0.25000	2	0,0,m_z	0.0	0.0	-3.4	3.40

[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	1

Comments:

NSD
Position structure from a measurement at 173K
Above 22K up to 315K a phase exist with only Mn ordered (see #0.426)
A third structure under magnetic field along z is also reported in the same reference (see #2.51)
Assumed values for the Mn and Eu moment moduli were fixed and not refined.

Comments (symmetry):

2k magnetic structure
k-maximal magnetic symmetry
Two irreps active as primary, mGM2- for the Mn ordering and mM1- for the Eu moment arrangement

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