MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

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

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,-z,+1	{ -1 \| 0 }
4	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 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+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
8	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 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	-1
4	-x,y,z,+1	m₁₀₀
5	-x,y,-z,-1	2'₀₁₀
6	-x,-y,z,-1	2'₀₀₁
7	x,-y,z,-1	m'₀₁₀
8	x,y,-z,-1	m'₀₀₁

Label	Atom type	x	y	z	Multiplicity
In1	In	0.236	0.25000	0.394	4

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.03700	0.25000	0.69400	m_x,0,m_z	6.52000
2	0.53700	0.25000	0.80600	m_x,0,-m_z	6.52000
3	0.96300	0.75000	0.30600	m_x,0,m_z	6.52000
4	0.46300	0.75000	0.19400	m_x,0,-m_z	6.52000

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.17100	0.25000	0.07000	m_x,0,m_z	6.81000
2	0.67100	0.25000	0.43000	m_x,0,-m_z	6.81000
3	0.82900	0.75000	0.93000	m_x,0,m_z	6.81000
4	0.32900	0.75000	0.57000	m_x,0,-m_z	6.81000

Atom	x	y	z
1	0.23600	0.25000	0.39400
2	0.73600	0.25000	0.10600
3	0.76400	0.75000	0.60600
4	0.26400	0.75000	0.89400

Reference: C. Ritter, D.H. Ryan, A. Provino, G. Lamura, Y. Mudryk, R.K. Chouhan, P. Singh, D.D. Johnson, V.K. Pecharsky, P. Manfrinetti, Journal of Alloys and Compounds (2024) 980 173573
DOI: 10.1016/j.jallcom.2024.173573
Atomic positions from: same reference

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

Transition Temperature: 56 K
Experiment Temperature: 2.5 K

Lattice parameters of the magnetic unit cell:
7.373 5.547 10.264 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pnm'a' (#62.447) (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\|
Eu1	Eu	0.037	0.25000	0.694	4	m_x,0,m_z	6.52(3)	0.0	0.0	6.52
Eu2	Eu	0.171	0.25000	0.070	4	m_x,0,m_z	6.81(3)	0.0	0.0	6.81

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.03700	0.25000	0.69400	m_x,0,m_z	6.52000
2	0.53700	0.25000	0.80600	m_x,0,-m_z	6.52000
3	0.96300	0.75000	0.30600	m_x,0,m_z	6.52000
4	0.46300	0.75000	0.19400	m_x,0,-m_z	6.52000

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.17100	0.25000	0.07000	m_x,0,m_z	6.81000
2	0.67100	0.25000	0.43000	m_x,0,-m_z	6.81000
3	0.82900	0.75000	0.93000	m_x,0,m_z	6.81000
4	0.32900	0.75000	0.57000	m_x,0,-m_z	6.81000

[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	4

Comments:

NPD
Position structure from a determination at 58K
FM along a

Comments (symmetry):

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

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

Eu2In (#0.1094)

Eu₂In (#0.1094)