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,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
5	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
6	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
7	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
8	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,-y,-z,+1	-1
4	x,y,-z,+1	m₀₀₁
5	x,-y,-z,-1	2'₁₀₀
6	-x,y,-z,-1	2'₀₁₀
7	-x,y,z,-1	m'₁₀₀
8	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Ni1	Ni	0.2024	0.25000	0.5867	4
Sn1	Sn	0.8075	0.25000	0.5929	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.48940	0.25000	0.29130	m_x,0,m_z	0.31000	0.72000
2	0.01060	0.75000	0.79130	-m_x,0,m_z	-0.31000	0.72000
3	0.51060	0.75000	0.70870	m_x,0,m_z	0.31000	0.72000
4	0.98940	0.25000	0.20870	-m_x,0,m_z	-0.31000	0.72000

Atom	x	y	z
1	0.20240	0.25000	0.58670
2	0.29760	0.75000	0.08670
3	0.79760	0.75000	0.41330
4	0.70240	0.25000	0.91330

Atom	x	y	z
1	0.80750	0.25000	0.59290
2	0.69250	0.75000	0.09290
3	0.19250	0.75000	0.40710
4	0.30750	0.25000	0.90710

Reference: H.C. Wu, A. Nakamura, D. Okuyama, K. Nawa, D. Aoki, T.J. Sato, Journal of Magnetism and Magnetic Materials (2023) 584 171054
DOI: 10.1016/j.jmmm.2023.171054
Atomic positions from: same reference

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

Transition Temperature: 5.77(2) K
Experiment Temperature: 2.5 K

Lattice parameters of the magnetic unit cell:
6.96500 4.41600 7.61800 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'm'a (#62.446) (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'm'm (8.4.27)
    [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\|
Yb1	Yb	0.4894	0.25000	0.2913	4	m_x,0,m_z	0.31(2)	0.0	0.72(2)	0.78

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.48940	0.25000	0.29130	m_x,0,m_z	0.31000	0.72000
2	0.01060	0.75000	0.79130	-m_x,0,m_z	-0.31000	0.72000
3	0.51060	0.75000	0.70870	m_x,0,m_z	0.31000	0.72000
4	0.98940	0.25000	0.20870	-m_x,0,m_z	-0.31000	0.72000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	2

Comments:

NSD
Atomic positions from a determination at 7K. Unit cell parameters from a determination at room temperature

Comments (symmetry):

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

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https://www.cryst.ehu.es

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

YbNiSn (#0.1027)