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	{ m₀₁₀ \| 0 }
3	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
4	-x,-y,-z,-1	{ -1' \| 0 }
(1/2,1/2,0) + set click here to show and hide
5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
7	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
8	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,z,+1	m₀₁₀
3	-x,y,-z,-1	2'₀₁₀
4	-x,-y,-z,-1	-1'

Label	Atom type	x	y	z	Multiplicity
Cl1	Cl	0.25940	0.32040	0.24020	8
Cl2	Cl	0.21600	0.00000	0.24770	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.16750	0.00000	m_x,0,m_z	1.09000	0.00000	0.10000
2	0.00000	0.83250	0.00000	-m_x,0,-m_z	-1.09000	0.00000	-0.10000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.66750	0.00000	m_x,0,m_z	1.09000	0.00000	0.10000
4	0.50000	0.33250	0.00000	-m_x,0,-m_z	-1.09000	0.00000	-0.10000

Atom	x	y	z
1	0.25940	0.32040	0.24020
2	0.25940	0.67960	0.24020
3	0.74060	0.32040	0.75980
4	0.74060	0.67960	0.75980
(1/2,1/2,0) + set click here to show and hide
5	0.75940	0.82040	0.24020
6	0.75940	0.17960	0.24020
7	0.24060	0.82040	0.75980
8	0.24060	0.17960	0.75980

Atom	x	y	z
1	0.21600	0.00000	0.24770
2	0.78400	0.00000	0.75230
(1/2,1/2,0) + set click here to show and hide
3	0.71600	0.50000	0.24770
4	0.28400	0.50000	0.75230

Reference: G. Sala, M. B. Stone, B. K. Rai, A. F. May, P. Laurell, V. O. Garlea, N. P. Butch, M. D. Lumsden, G. Ehlers, G. Pokharel, A. Podlesnyak, D. Mandrus, D. S. Parker, S. Okamoto, G. B. Halasz, A. D. Christianson, Nature Communications (2021) 12 171
DOI: 10.1038/s41467-020-20335-5
Atomic positions from: same reference

Parent space group (paramagnetic phase): C2/m (#12)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 0.6 K
Experiment Temperature: 0.3 K

Lattice parameters of the magnetic unit cell:
6.72900 11.61400 6.31300 90.00 110.6 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: C2'/m (#12.60) (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: 2'/m (5.3.14)
    [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\|
Yb	Yb	0.00000	0.16750	0.00000	4	m_x,0,m_z	1.09	0.0	0.1	1.06

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.16750	0.00000	m_x,0,m_z	1.09000	0.00000	0.10000
2	0.00000	0.83250	0.00000	-m_x,0,-m_z	-1.09000	0.00000	-0.10000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.66750	0.00000	m_x,0,m_z	1.09000	0.00000	0.10000
4	0.50000	0.33250	0.00000	-m_x,0,-m_z	-1.09000	0.00000	-0.10000

[Show all magnetic atoms in unit cell and their moment relations]

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2-	1	1	primary	2

Comments:

Single crystal neutron diffraction with linear polarization analysis.
A small tilt of magnetic moment along the c-axis of 5(3)deg was estimated from the intensity ratio of (020) measured using six components of the polarisation tensor along Px, Py and Pz for both spin flip and non-spin flip configurations.

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

YbCl3 (#0.723)

YbCl₃ (#0.723)