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+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
3	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
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+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
7	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
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	m₀₁₀
3	-x,-y,z,-1	2'₀₀₁
4	-x,y,z,-1	m'₁₀₀

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.00000	0.34490	0.25000	1.	4	0,m_y,m_z	0.0	1.66	0.38	1.70

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ga1	Ga	0.00000	0.05680	0.25000	1.	4
D1	D	0.00000	0.74850	0.25000	0.91	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.34490	0.25000	0,m_y,m_z	0.00000	1.66000	0.38000
2	0.00000	0.65510	0.75000	0,m_y,-m_z	0.00000	1.66000	-0.38000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.84490	0.25000	0,m_y,m_z	0.00000	1.66000	0.38000
4	0.50000	0.15510	0.75000	0,m_y,-m_z	0.00000	1.66000	-0.38000

Atom	x	y	z
1	0.00000	0.05680	0.25000
2	0.00000	0.94320	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.55680	0.25000
4	0.50000	0.44320	0.75000

Atom	x	y	z
1	0.00000	0.74850	0.25000
2	0.00000	0.25150	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.24850	0.25000
4	0.50000	0.75150	0.75000

Reference: Johan Cedervall, Vitalii Shtender, Pascal Manuel, Vladimir Pomjakushin, Roland Mathieu, Ulrich Haussermann, Mikael S. Andersson, PHYSICAL REVIEW B (2024) 109 134434
DOI: 10.1103/PhysRevB.109.134434
Atomic positions from: Shtender et al., J. Appl. Cryst. (2024). 57, 248

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

Transition Temperature: 5 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
4.17360 11.91600 4.18160 90.00 102.30 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cm'c2₁' (#36.174) (standard setting)
    [View symmetry operations]
Transformation to a standard setting: (a,b,c;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\|
Nd1	Nd	0.00000	0.34490	0.25000	4	0,m_y,m_z	0.0	1.66	0.38	1.70

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.34490	0.25000	0,m_y,m_z	0.00000	1.66000	0.38000
2	0.00000	0.65510	0.75000	0,m_y,-m_z	0.00000	1.66000	-0.38000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.84490	0.25000	0,m_y,m_z	0.00000	1.66000	0.38000
4	0.50000	0.15510	0.75000	0,m_y,-m_z	0.00000	1.66000	-0.38000

[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
mGM3-	1	1	primary	1

Comments:

NPD
Positional structure is not provided. Here a model at 20K from another work is used.
FM along b

Comments (symmetry):

1k magnetic structure
two 1-dim irreps as primary irreps

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

For comments, please mail to
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MAGNDATA: A Collection of magnetic structures with portable cif-type files

NdGaD0.9 (#0.1099)

NdGaD_0.9 (#0.1099)