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+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
(1/2,1/2,1/2)' + set click here to show and hide
5	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
6	-x+1/2,y,-z,-1	{ 2'₀₁₀ \| 1/2 0 0 }
7	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
8	x+1/2,-y,z,-1	{ m'₀₁₀ \| 1/2 0 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Multiplicity
O1	O	0.40430	0.84930	0.64590	8
O2	O	0.25000	0.31660	0.50000	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.34450	0.00250	0.30010	m_x,m_y,m_z	1.10000	0.00000	0.50000
2	0.65550	0.50250	0.19990	-m_x,m_y,-m_z	-1.10000	0.00000	-0.50000
3	0.65550	0.99750	0.69990	m_x,m_y,m_z	1.10000	0.00000	0.50000
4	0.34450	0.49750	0.80010	-m_x,m_y,-m_z	-1.10000	0.00000	-0.50000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.84450	0.50250	0.80010	-m_x,-m_y,-m_z	-1.10000	0.00000	-0.50000
6	0.15550	0.00250	0.69990	m_x,-m_y,m_z	1.10000	0.00000	0.50000
7	0.15550	0.49750	0.19990	-m_x,-m_y,-m_z	-1.10000	0.00000	-0.50000
8	0.84450	0.99750	0.30010	m_x,-m_y,m_z	1.10000	0.00000	0.50000

Atom	x	y	z
1	0.40430	0.84930	0.64590
2	0.59570	0.34930	0.85410
3	0.59570	0.15070	0.35410
4	0.40430	0.65070	0.14590
(1/2,1/2,1/2)' + set click here to show and hide
5	0.90430	0.34930	0.14590
6	0.09570	0.84930	0.35410
7	0.09570	0.65070	0.85410
8	0.90430	0.15070	0.64590

Atom	x	y	z
1	0.25000	0.31660	0.50000
2	0.75000	0.68340	0.50000
(1/2,1/2,1/2)' + set click here to show and hide
3	0.75000	0.81660	0.00000
4	0.25000	0.18340	0.00000

Reference: C. Tenailleau, E. Suard, J. Rodriguez-Carvajal and P. Lacorre, Journal of Magnetism and Magnetic Materials (2004) 278 57-67.
DOI: 10.1016/j.jmmm.2003.11.373
Atomic positions from: ICSD #97442

Parent space group (paramagnetic phase): I2/a (#15) (non-standard)
Transformation to a standard setting: (-a-c,b,a;0,0,0)
    [View matrix form]
Propagation vector: k1 (0, 0, 1)

Transition Temperature: 160 K
Experiment Temperature: 10 K

Lattice parameters of the magnetic unit cell:
7.27410 5.00530 5.55140 90.00 96.78 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P_C2₁/c (#14.84) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a+c,b,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\|
V1	V	0.34450	0.00250	0.30010	8	m_x,m_y,m_z	1.1	0.0	0.5	1.15

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.34450	0.00250	0.30010	m_x,m_y,m_z	1.10000	0.00000	0.50000
2	0.65550	0.50250	0.19990	-m_x,m_y,-m_z	-1.10000	0.00000	-0.50000
3	0.65550	0.99750	0.69990	m_x,m_y,m_z	1.10000	0.00000	0.50000
4	0.34450	0.49750	0.80010	-m_x,m_y,-m_z	-1.10000	0.00000	-0.50000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.84450	0.50250	0.80010	-m_x,-m_y,-m_z	-1.10000	0.00000	-0.50000
6	0.15550	0.00250	0.69990	m_x,-m_y,m_z	1.10000	0.00000	0.50000
7	0.15550	0.49750	0.19990	-m_x,-m_y,-m_z	-1.10000	0.00000	-0.50000
8	0.84450	0.99750	0.30010	m_x,-m_y,m_z	1.10000	0.00000	0.50000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mY2+	1	1	primary	3

Comments:

NPD
Moment components only approximate. They are taken from a figure in the reference.

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim primary irrep

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

V2O3 (#1.287)

V₂O₃ (#1.287)