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	{ m₀₀₁ \| 0 }
3	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
4	-x,y,z,-1	{ m'₁₀₀ \| 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	{ m₀₀₁ \| 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'₁₀₀ \| 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,y,-z,+1	m₀₀₁
3	-x,y,-z,-1	2'₀₁₀
4	-x,y,z,-1	m'₁₀₀

Label	Atom type	x	y	z	Multiplicity
La1	La	0.00000	0.00000	0.00000	2
Si1	Si	0.00000	0.00000	0.38010	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.25000	0,m_y,m_z	0.00000	-2.06000	1.81000
2	0.00000	0.50000	0.75000	0,-m_y,m_z	0.00000	2.06000	1.81000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.00000	0.75000	0,m_y,m_z	0.00000	-2.06000	1.81000
4	0.50000	0.00000	0.25000	0,-m_y,m_z	0.00000	2.06000	1.81000

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

Atom	x	y	z
1	0.00000	0.00000	0.38010
2	0.00000	0.00000	0.61990
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.88010
4	0.50000	0.50000	0.11990

Reference: E. Gerasimov, N. Mushnikov, P. Terentev and A. Pirogov, Journal of Alloys and Compounds (2018) 731 397-402.
DOI: 10.1016/j.jallcom.2017.10.050
Atomic positions from: ICSD #82939

Parent space group (paramagnetic phase): I4/mmm (#139)
Propagation vector: k1 (0, 0, 0)
Experiment Temperature: 4.2 K

Lattice parameters of the magnetic unit cell:
4.09848 4.09848 10.56325 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Im'm2' (#44.231) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,-c,b;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m'm2' (7.3.22)
    [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	0.50000	0.25000	4	0,m_y,m_z	0.0	-2.06(2)	1.81(3)	2.74

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.25000	0,m_y,m_z	0.00000	-2.06000	1.81000
2	0.00000	0.50000	0.75000	0,-m_y,m_z	0.00000	2.06000	1.81000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.00000	0.75000	0,m_y,m_z	0.00000	-2.06000	1.81000
4	0.50000	0.00000	0.25000	0,-m_y,m_z	0.00000	2.06000	1.81000

[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	1

Comments:

NPD
Transition temperature unkonwn
Position structure (not reported in the paper) retrieved from ICSD from another study at 10K.
An orientation of the structure different from the one in the paper, but domain-equivalent, is used here.

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
2-dim irreps involved as primary: two order parameters present in the sense of Landau theory
FM along c

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

LaMn2Si2 (#0.496)

LaMn₂Si₂ (#0.496)