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,-y,-z,+1	{ 2₁₀₀ \| 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-x+y,y,z,+1	{ m₁₀₀ \| 0 }
(0,0,1/2)' + set click here to show and hide
5	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
6	x-y,-y,-z+1/2,-1	{ 2'₁₀₀ \| 0 0 1/2 }
7	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
8	-x+y,y,z+1/2,-1	{ m'₁₀₀ \| 0 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x-y,-y,-z,+1	2₁₀₀
3	-x,-y,-z,+1	-1
4	-x+y,y,z,+1	m₁₀₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x-y,-y,-z,-1	2'₁₀₀
7	-x,-y,-z,-1	-1'
8	-x+y,y,z,-1	m'₁₀₀

Label	Atom type	x	y	z	Multiplicity
Bi1	Bi	0.33333	0.66667	0.37504	4
Mg1	Mg	0.33333	0.66667	0.18620	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,0	5.30000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.50000	-m_x,0,0	-5.30000	0.00000	0.00000

Atom	x	y	z
1	0.33333	0.66667	0.37504
2	0.66666	0.33333	0.62496
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.87504
4	0.66666	0.33333	0.12496

Atom	x	y	z
1	0.33333	0.66667	0.18620
2	0.66666	0.33333	0.81380
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.68620
4	0.66666	0.33333	0.31380

Reference: S. Pakhira, T. Heitmann, S. X. M. Riberolles, B. G. Ueland, R. J. McQueeney, D. C. Johnston, David Vaknin, PHYSICAL REVIEW B (2021) 103 024408
DOI: 10.1103/PhysRevB.103.024408
Atomic positions from: ICSD #261989

Parent space group (paramagnetic phase): P-3m1 (#164)
Propagation vector: k1 (0, 0, 1/2)

Transition Temperature: 6.7 K
Experiment Temperature: 4 K

Lattice parameters of the magnetic unit cell:
4.77160 4.77160 15.67300 90.00 90.00 120.00
Transformation from parent structure: (a,b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C_c2/m (#12.63) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-a-2b,a,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1' (5.2.13)
    [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	0.00000	0.00000	0.00000	2	m_x,0,0	5.3(5)	0.0	0.0	5.30

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,0	5.30000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.50000	-m_x,0,0	-5.30000	0.00000	0.00000

[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
mA3+	2	2	special	primary	1

Comments:

NSD
Positional structure including cell parameters is missing. Here that of a measurement at 173K reported in 2011 is used.
Eu moment direction on the ab plane is undetermined. A direction of maximal symmetry has been chosen arbitrarily.
The other distinct moment direction of maximal symmetry with a different MSG is (2,1,0) (or equivalent), with MSG C_c2/c(15.90) with transformation to standard: 2a+b,b,2c;0,0,0.

Comments (symmetry):

1k magnetic structure
2-dim irrep along a special direction as primary

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

EuMg2Bi2 (#1.497)

EuMg₂Bi₂ (#1.497)