MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

MAGNDATA: A Collection of magnetic structures with portable cif-type files

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y,-z,+1	{ -1 \| 0 }
3	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
4	-x,y,z,-1	{ m'₁₀₀ \| 0 }
(1/2,1/2,0) + set click here to show and hide
5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
7	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
8	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
3	x,-y,-z,-1	2'₁₀₀
4	-x,y,z,-1	m'₁₀₀

Label	Atom type	x	y	z	Multiplicity
Ga	Ga	0.0000	0.0752	0.25000	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.35830	0.25000	0,m_y,m_z	0.00000	7.50000	4.50000
2	0.00000	0.64170	0.75000	0,m_y,m_z	0.00000	7.50000	4.50000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.85830	0.25000	0,m_y,m_z	0.00000	7.50000	4.50000
4	0.50000	0.14170	0.75000	0,m_y,m_z	0.00000	7.50000	4.50000

Atom	x	y	z
1	0.00000	0.07520	0.25000
2	0.00000	0.92480	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.57520	0.25000
4	0.50000	0.42480	0.75000

Reference: J. M. Cadogan, D. H. Ryan, R. A. Susilo, S. Munoz Perez, R. Cobas, N. R. Lee-Hone, B. R. Hansend, M. Avdeev, Acta Cryst. B (2024) 80 443 - 450
DOI: 10.1107/S205252062400862X
Atomic positions from: same reference

Parent space group (paramagnetic phase): Cmcm (#63)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 16 K
Experiment Temperature: 3 K

Lattice parameters of the magnetic unit cell:
4.2527 10.6913 4.0157 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C2'/m' (#12.62) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-b,a,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m' (5.5.16)
    [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\|
Er	Er	0.0000	0.3583	0.25000	4	0,m_y,m_z	0.0	7.5	4.5	8.75

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.35830	0.25000	0,m_y,m_z	0.00000	7.50000	4.50000
2	0.00000	0.64170	0.75000	0,m_y,m_z	0.00000	7.50000	4.50000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.85830	0.25000	0,m_y,m_z	0.00000	7.50000	4.50000
4	0.50000	0.14170	0.75000	0,m_y,m_z	0.00000	7.50000	4.50000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM4+	1	1	primary	1
mGM2+	1	1	primary	1

Comments:

NPD
FM on the plane bc (in the parent setting)
Ferromagnet
Between 32k and 16K another phase exists with a higher MSG, and with the spins restricted to the y direction, according to a single irrep mGM4+ (see #0.1041)

Comments (symmetry):

1k magnetic structure
Two 1-dim irreps are involved as primary, corresponding to the observation of two phase transitions.

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MAGNDATA: A Collection of magnetic structures with portable cif-type files

ErGa (#0.1042)