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,-z,+1	{ -1 \| 0 }
3	-x,-x+y,-z,-1	{ 2'₀₁₀ \| 0 }
4	x,x-y,z,-1	{ m'₀₁₀ \| 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
3	-x,-x+y,-z,-1	2'₀₁₀
4	x,x-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
Cd1	Cd	0.33333	0.66667	0.63316	2
As1	As	0.33333	0.66667	0.24667	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	2m_y,m_y,m_z	6.40000	3.20000	3.30000

Atom	x	y	z
1	0.33333	0.66667	0.63316
2	0.66667	0.33333	0.36684

Atom	x	y	z
1	0.33333	0.66667	0.24667
2	0.66667	0.33333	0.75333

Reference: K. M. Taddei, L. Yin, L. D. Sanjeewa, Y. Li, J. Xing, C. dela Cruz, D. Phelan, A. S. Sefat, D. S. Parker, PHYSICAL REVIEW B (2022) 105 L140401
DOI: 10.1103/PhysRevB.105.L140401
Atomic positions from: ICSD #422963

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

Transition Temperature: 30 K
Experiment Temperature: 5 K

Lattice parameters of the magnetic unit cell:
4.44990 4.44990 7.35000 90.00 90.00 120.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C2'/m' (#12.62) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (2a+b,b,c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m' (5.5.16)
    [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	1	2m_y,m_y,m_z	6.4	3.2	3.3	6.45

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	2m_y,m_y,m_z	6.40000	3.20000	3.30000

[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	presence
mGM3+	2	2	special	primary	1
mGM2+	1	1		secondary	1	yes

Comments:

NSD
Position structure is not provided. Here a model at room temperature retrieved from the ICSD is used.
FM on the yz plane (or symmetry related planes).
Ferromagnet.
The reference reports two similar refined models for different data sets. Only one is given here.
For a very different magnetic structure for this compound see #1.471.

Comments (symmetry):

1k magnetic structure
2-dim irrep along a special direction
A secondary 1-dim irrep is also involved in the model (mz component)

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

EuCd2As2 (#0.863)

EuCd₂As₂ (#0.863)