MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

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

working...

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	{ 2₀₁₀ \| 0 1/2 0 }
3	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
4	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,y,z,-1	m'₁₀₀
4	x,y,-z,-1	m'₀₀₁

Label	Atom type	x	y	z	Multiplicity
O1	O	0.46260	0.25000	0.10810	4
O2_1	O	0.69670	0.94430	0.30750	4
O2_2	O	0.80330	0.05570	0.80750	4

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.06665	0.25000	0.98275	m_x,m_y,m_z	1.00000
2	0.93335	0.75000	0.01725	-m_x,m_y,-m_z	-1.00000
3	0.43335	0.75000	0.48275	-m_x,m_y,m_z	-1.00000
4	0.56665	0.25000	0.51725	m_x,m_y,-m_z	1.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.00000	0.00000	0.50000	m_x,m_y,m_z	1.00000	0.30000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	-1.00000	0.30000
3	0.50000	0.50000	0.00000	-m_x,m_y,m_z	-1.00000	0.30000
4	0.50000	0.00000	0.00000	m_x,m_y,-m_z	1.00000	0.30000

Atom	x	y	z
1	0.46260	0.25000	0.10810
2	0.53740	0.75000	0.89190
3	0.03740	0.75000	0.60810
4	0.96260	0.25000	0.39190

Atom	x	y	z
1	0.69670	0.94430	0.30750
2	0.30330	0.44430	0.69250
3	0.80330	0.44430	0.80750
4	0.19670	0.94430	0.19250

Atom	x	y	z
1	0.80330	0.05570	0.80750
2	0.19670	0.55570	0.19250
3	0.69670	0.55570	0.30750
4	0.30330	0.05570	0.69250

Reference: Y. Tokunaga, S. Iguchi, T. Arima and Y. Tokura, Physical Review Letters (2008) 101.
DOI: 10.1103/physrevlett.101.097205
Atomic positions from: ICSD #280091

Parent space group (paramagnetic phase): Pnma (#62)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 4 K

Lattice parameters of the magnetic unit cell:
5.59570 7.62900 5.30090 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pn'a'2₁ (#33.148) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,c,-b;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m'm'2 (7.4.23)
    [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\|
Dy1	Dy	0.06665	0.25000	0.98275	4	m_x,m_y,m_z	1.	0.0	0.0	1.00
Fe1	Fe	0.00000	0.00000	0.50000	4	m_x,m_y,m_z	1.	0.3	0.0	1.04

Atom	x	y	z	Symmetry constraints on M	M_x
1	0.06665	0.25000	0.98275	m_x,m_y,m_z	1.00000
2	0.93335	0.75000	0.01725	-m_x,m_y,-m_z	-1.00000
3	0.43335	0.75000	0.48275	-m_x,m_y,m_z	-1.00000
4	0.56665	0.25000	0.51725	m_x,m_y,-m_z	1.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.00000	0.00000	0.50000	m_x,m_y,m_z	1.00000	0.30000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	-1.00000	0.30000
3	0.50000	0.50000	0.00000	-m_x,m_y,m_z	-1.00000	0.30000
4	0.50000	0.00000	0.00000	m_x,m_y,-m_z	1.00000	0.30000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action
mGM1-	1	1	primary
mGM4+	1	1	primary

Comments:

stable for large magnetic field along b (Pnma setting)
symmetry allows a FM component along b
arbitrary spin values

Comments (symmetry):

1k magnetic structure

Bilbao Crystallographic Server
https://www.cryst.ehu.es

For comments, please mail to
administrador.bcs@ehu.eus

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

DyFeO3 (#0.11)

DyFeO₃ (#0.11)