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+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
5	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
6	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
7	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }
8	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,-y,-z,+1	-1
4	-x,y,z,+1	m₁₀₀
5	-x,y,-z,-1	2'₀₁₀
6	-x,-y,z,-1	2'₀₀₁
7	x,-y,z,-1	m'₀₁₀
8	x,y,-z,-1	m'₀₀₁

Label	Atom type	x	y	z	Multiplicity
Y1	Y	0.47830	0.42850	0.75000	4
O1	O	0.61260	0.03780	0.75000	4
O2	O	0.68720	0.29960	0.05663	8

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	1.72000
2	0.00000	0.50000	0.00000	m_x,-m_y,-m_z	-1.72000
3	0.00000	0.50000	0.50000	m_x,-m_y,m_z	1.72000
4	0.50000	0.00000	0.50000	m_x,m_y,-m_z	-1.72000

Atom	x	y	z
1	0.47830	0.42850	0.75000
2	0.97830	0.07150	0.25000
3	0.52170	0.57150	0.25000
4	0.02170	0.92850	0.75000

Atom	x	y	z
1	0.61260	0.03780	0.75000
2	0.11260	0.46220	0.25000
3	0.38740	0.96220	0.25000
4	0.88740	0.53780	0.75000

Atom	x	y	z
1	0.68720	0.29960	0.05663
2	0.18720	0.20040	0.94337
3	0.31280	0.70040	0.94337
4	0.81280	0.79960	0.05663
5	0.81280	0.79960	0.44337
6	0.31280	0.70040	0.55663
7	0.18720	0.20040	0.55663
8	0.68720	0.29960	0.44337

Reference: M. Reehuis, C. Ulrich, P. Pattison, B. Ouladdiaf, M. C. Rheinstadter, M. Ohl, L. P. Regnault, M. Miyasaka, Y. Tokura, B. Keimer, PHYSICAL REVIEW B (2006) 73 094440
DOI: 10.1103/PhysRevB.73.094440
Atomic positions from: ICSD #155476

Parent space group (paramagnetic phase): Pbnm (#62) (non-standard)
Transformation to a standard setting: (b,c,a;0,0,0)
    [View matrix form]
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 77 K
Experiment Temperature: 10 K

Lattice parameters of the magnetic unit cell:
5.28550 5.59260 7.55610 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'm'a (#62.446) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (b,c,a;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m'm'm (8.4.27)
    [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	0.50000	0.00000	0.00000	4	m_x,m_y,m_z	0.0	0.0	1.72(5)	1.72

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	1.72000
2	0.00000	0.50000	0.00000	m_x,-m_y,-m_z	-1.72000
3	0.00000	0.50000	0.50000	m_x,-m_y,m_z	1.72000
4	0.50000	0.00000	0.50000	m_x,m_y,-m_z	-1.72000

[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	1

Comments:

NPD
Non standard parent space group Pbnm
Position structure from a determination at 5K.
FM along a in the parent Pbnm setting)
Between 116K and 77K a different magnetic phase of lower symmetry is reported (see #0.788)

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

YVO3 (#0.787)

YVO₃ (#0.787)