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	{ 2'₂₁₀ \| 0 }
4	-x,-x+y,z,-1	{ m'₂₁₀ \| 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	2'₂₁₀
4	-x,-x+y,z,-1	m'₂₁₀

Label	Atom type	x	y	z	Multiplicity
B1	B	0.33333	0.66667	0.50000	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,m_z	0.00000	4.16000	5.31000

Atom	x	y	z
1	0.33333	0.66667	0.50000
2	0.66667	0.33333	0.50000

Reference: N. Terada, K. Terashima, P. B. de Castro, C. V. Colin, H. Mamiya, T. D. Yamamoto, H. Takeya, O. Sakai, Y. Takano, H. Kitazawa, PHYSICAL REVIEW B (2020) 102 094435
DOI: 10.1103/PhysRevB.102.094435
Atomic positions from: same reference

Parent space group (paramagnetic phase): P6/mmm (#191)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 15 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
3.2849 3.2849 3.8183 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: (-b,2a+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\|
Ho1	Ho	0.00000	0.00000	0.00000	1	0,m_y,m_z	0.0	4.16(4)	5.31(6)	6.75

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,m_z	0.00000	4.16000	5.31000

[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
mGM2+	1	1		primary	1
mGM6+	2	2	special	primary	1

Comments:

NPD
A phase transition with some spin reorientation is detected at 11K
The direction of the moment component on the basal xy plane is undetermined. Here one of the two non-equivalent possibilities with maximal symmetry is considered.
FM on the plane bc

Comments (symmetry):

1k magnetic structure
Two irreps as primary, i.e. two order parameters in the sense of Landau theory are involved.

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

HoB2 (#0.616)

HoB₂ (#0.616)