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+1/2,-z,+1	{ 2₀₁₀ \| 0 1/2 0 }
3	-x+1/2,y,z,+1	{ m₁₀₀ \| 1/2 0 0 }
4	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
5	x+1/2,-y,-z,-1	{ 2'₁₀₀ \| 1/2 0 0 }
6	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
7	-x,-y,-z,-1	{ -1' \| 0 }
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	2₀₁₀
3	-x,y,z,+1	m₁₀₀
4	x,y,-z,+1	m₀₀₁
5	x,-y,-z,-1	2'₁₀₀
6	-x,-y,z,-1	2'₀₀₁
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Cu1	Cu	0.75000	0.25000	0.00000	2
Cu2	Cu	0.25000	0.25000	0.63890	2
Sb1	Sb	0.75000	0.25000	0.50000	2
Sb2	Sb	0.25000	0.25000	0.86970	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.23880	m_x,0,0	7.08000	0.00000	0.00000
2	0.75000	0.75000	0.76120	-m_x,0,0	-7.08000	0.00000	0.00000

Atom	x	y	z
1	0.75000	0.25000	0.00000
2	0.25000	0.75000	0.00000

Atom	x	y	z
1	0.25000	0.25000	0.63890
2	0.75000	0.75000	0.36110

Atom	x	y	z
1	0.75000	0.25000	0.50000
2	0.25000	0.75000	0.50000

Atom	x	y	z
1	0.25000	0.25000	0.86970
2	0.75000	0.75000	0.13030

Reference: D. H. Ryan, J. M. Cadogan, V. K. Anand, D. C. Johnston, R. Flacau, J. Phys.: Condens. Matter (2015) 27 206002
DOI: 10.1103/PhysRevB.75.104417
Atomic positions from: ICSD #291497

Parent space group (paramagnetic phase): P4/nmm (#129)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 5.09(2) K
Experiment Temperature: 0.4 K

Lattice parameters of the magnetic unit cell:
4.481(1) 4.481(1) 10.805(5) 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pm'mn (#59.407) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (b,-a,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	0.25000	0.25000	0.23880	2	m_x,0,0	7.08(5)	0.0	0.0	7.08

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.23880	m_x,0,0	7.08000	0.00000	0.00000
2	0.75000	0.75000	0.76120	-m_x,0,0	-7.08000	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
mGM5-	2	2	special	primary	1

Comments:

NPD
Positional structure from a determination at 298K
Spin orientation on the basal plane is undetermined. Here a direction of maximal symmetry is taken arbitrarily.

Comments (symmetry):

1k magnetic structure
k-maximal symmetry
2-dim irrep along a special direction
Alternative MSGs depending on the undetermined spin orientation: along (110) direction: Cm'ma (a+b,-a+b,c;0,1/2,0) and along a general direction on the basal plane P2'/c (a,-c,-a+b;0,0,0) with the transformation to standard with respect to the parent setting.
linear magnetoelectric effect is symmetry allowed

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

EuCu2Sb2 (#0.1020)

EuCu₂Sb₂ (#0.1020)