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	{ 2'₀₁₀ \| 0 }
4	x,-y,z,-1	{ m'₀₁₀ \| 0 }
(1/2,1/2,1/2) + set click here to show and hide
5	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
6	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
7	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
8	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
3	-x,y,-z,-1	2'₀₁₀
4	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Ga1	Ga	0.00000	0.00000	0.00000	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	m_x,0,m_z	1.19000	0.00000	-3.07000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.00000	m_x,0,m_z	1.19000	0.00000	-3.07000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.25000	m_x,0,m_z	0.00000	0.00000	2.08000
2	0.00000	0.50000	0.75000	m_x,0,m_z	0.00000	0.00000	2.08000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.00000	0.75000	m_x,0,m_z	0.00000	0.00000	2.08000
4	0.50000	0.00000	0.25000	m_x,0,m_z	0.00000	0.00000	2.08000

Atom	x	y	z
1	0.00000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.50000

Reference: E. Fonda, E. Otero, F. Choueikani, P. Ohresser, F. Porcher, G. Andre, PHYSICAL REVIEW B (2013) 87 184429
DOI: 10.1103/PhysRevB.87.184429
Atomic positions from: same reference

Parent space group (paramagnetic phase): I4/mmm (#139)
Propagation vector: k1 (0, 0, 0)
Experiment Temperature: 293 K

Lattice parameters of the magnetic unit cell:
3.9056(2) 3.9056(2) 7.1003(6) 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: (a-c,b,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\|
Mn1	Mn	0.00000	0.00000	0.50000	2	m_x,0,m_z	1.19(24)	0.0	-3.07(4)	3.29
Mn2	Mn	0.00000	0.50000	0.25000	4	m_x,0,m_z	0.0	0.0	2.08(2)	2.08

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	m_x,0,m_z	1.19000	0.00000	-3.07000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.00000	m_x,0,m_z	1.19000	0.00000	-3.07000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.25000	m_x,0,m_z	0.00000	0.00000	2.08000
2	0.00000	0.50000	0.75000	m_x,0,m_z	0.00000	0.00000	2.08000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.00000	0.75000	m_x,0,m_z	0.00000	0.00000	2.08000
4	0.50000	0.00000	0.25000	m_x,0,m_z	0.00000	0.00000	2.08000

[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
mGM3+	1	1		primary	2
mGM5+	2	2	special	primary	2

Comments:

NPD
Transition temperature is not specified.
Ferrimagnetic on the ac plane
The direction of the Mn1 on the basal plane cannot be determined from NPD data. A direction of maximal symmetry has been assumed (another non equivalent possible direction with maximal symmetry is along (1,1,0)).

Comments (symmetry):

1k magnetic structure
k-maximal symmetry
Two irreps as primary: two order parameters in the sense of Landau theory are involved.
One irrep corresponds to the spin mode along c, and the other one to the Mn1 moment component on the ab plane.

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

Mn3Ga (#0.641)

Mn₃Ga (#0.641)