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+1/2,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
3	x,-y+1/2,z,+1	{ m₀₁₀ \| 0 1/2 0 }
4	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
5	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
6	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
7	-x,-y,-z,-1	{ -1' \| 0 }
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	2₁₀₀
3	x,-y,z,+1	m₀₁₀
4	x,y,-z,+1	m₀₀₁
5	-x,y,-z,-1	2'₀₁₀
6	-x,-y,z,-1	2'₀₀₁
7	-x,-y,-z,-1	-1'
8	-x,y,z,-1	m'₁₀₀

Label	Atom type	x	y	z	Multiplicity
Te2	Te	0.09383	0.25000	0.07384	4
Te3	Te	0.37497	0.25000	0.03285	4
Te4	Te	0.29769	0.25000	0.34059	4
Te5	Te	0.46843	0.25000	0.78571	4
Sc6	Sc	0.08470	0.25000	0.40580	4
Sc7	Sc	0.55440	0.25000	0.61190	4

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.23832	0.25000	0.67211	0,m_y,0	6.20000
2	0.73832	0.25000	0.82789	0,-m_y,0	-6.20000
3	0.76168	0.75000	0.32789	0,-m_y,0	-6.20000
4	0.26168	0.75000	0.17211	0,m_y,0	6.20000

Atom	x	y	z
1	0.09383	0.25000	0.07384
2	0.59383	0.25000	0.42616
3	0.90617	0.75000	0.92616
4	0.40617	0.75000	0.57384

Atom	x	y	z
1	0.37497	0.25000	0.03285
2	0.87497	0.25000	0.46715
3	0.62503	0.75000	0.96715
4	0.12503	0.75000	0.53285

Atom	x	y	z
1	0.29769	0.25000	0.34059
2	0.79769	0.25000	0.15941
3	0.70231	0.75000	0.65941
4	0.20231	0.75000	0.84059

Atom	x	y	z
1	0.46843	0.25000	0.78571
2	0.96843	0.25000	0.71429
3	0.53157	0.75000	0.21429
4	0.03157	0.75000	0.28571

Atom	x	y	z
1	0.08470	0.25000	0.40580
2	0.58470	0.25000	0.09420
3	0.91530	0.75000	0.59420
4	0.41530	0.75000	0.90580

Atom	x	y	z
1	0.55440	0.25000	0.61190
2	0.05440	0.25000	0.88810
3	0.44560	0.75000	0.38810
4	0.94560	0.75000	0.11190

Reference: Seng Huat Lee, Yufei Zhao, Noble Gluscevich, Hemian Yi, Zachary Morgan, Huibo Cao, Jahyun Koo, Yu Wang, Jingyang He, Venkatraman Gopalan, Yuanxi Wang, Weiwei Xie, CuiZu Chang, Qiang Zhang, Binghai Yan, Zhiqiang Mao, Adv. Funct. Mater. (2025) . 2424231
DOI: 10.1002/adfm.202424231
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pnma (#62)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 5.2 K
Experiment Temperature: 1.4 K

Lattice parameters of the magnetic unit cell:
13.10540 4.20650 15.28020 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'ma (#62.443) (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'mm (8.3.26)
    [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	0.23832	0.25000	0.67211	4	0,m_y,0	0.0	6.2(3)	0.0	6.20

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.23832	0.25000	0.67211	0,m_y,0	6.20000
2	0.73832	0.25000	0.82789	0,-m_y,0	-6.20000
3	0.76168	0.75000	0.32789	0,-m_y,0	-6.20000
4	0.26168	0.75000	0.17211	0,m_y,0	6.20000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM3-	1	1	primary	1

Comments:

NSD
Positional structure from a determination at 296K

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep

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

For comments, please mail to
administrador.bcs@ehu.eus

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

EuSc2Te4 (#0.1103)

EuSc₂Te₄ (#0.1103)