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+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
O1	O	0.60560	0.04080	0.75000	4
O2	O	0.69360	0.30870	0.05780	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.48100	0.43220	0.75000	m_x,m_y,0	3.40000	-6.68000
2	0.98100	0.06780	0.25000	m_x,-m_y,0	3.40000	6.68000
3	0.51900	0.56780	0.25000	m_x,m_y,0	3.40000	-6.68000
4	0.01900	0.93220	0.75000	m_x,-m_y,0	3.40000	6.68000

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	4.60000
2	0.00000	0.50000	0.00000	m_x,-m_y,-m_z	-4.60000
3	0.00000	0.50000	0.50000	m_x,-m_y,m_z	4.60000
4	0.50000	0.00000	0.50000	m_x,m_y,-m_z	-4.60000

Atom	x	y	z
1	0.60560	0.04080	0.75000
2	0.10560	0.45920	0.25000
3	0.39440	0.95920	0.25000
4	0.89440	0.54080	0.75000

Atom	x	y	z
1	0.69360	0.30870	0.05780
2	0.19360	0.19130	0.94220
3	0.30640	0.69130	0.94220
4	0.80640	0.80870	0.05780
5	0.80640	0.80870	0.44220
6	0.30640	0.69130	0.55780
7	0.19360	0.19130	0.55780
8	0.69360	0.30870	0.44220

Reference: W. C. Koehler, E. O. Wollan, M. K. Wilkinson, Physical Review (1960) 118 58 - 70
DOI: 10.1103/PhysRev.118.58
Atomic positions from: ICSD #239903

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: 6.5 K
Experiment Temperature: 1.25 K

Lattice parameters of the magnetic unit cell:
5.27790 5.58730 7.60110 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\|
Ho1	Ho	0.48100	0.43220	0.75000	4	m_x,m_y,0	3.4	-6.68	0.0	7.50
Fe1	Fe	0.50000	0.00000	0.00000	4	m_x,m_y,m_z	0.0	0.0	4.6	4.60

Atom	x	y	z	Symmetry constraints on M	M_x	M_y
1	0.48100	0.43220	0.75000	m_x,m_y,0	3.40000	-6.68000
2	0.98100	0.06780	0.25000	m_x,-m_y,0	3.40000	6.68000
3	0.51900	0.56780	0.25000	m_x,m_y,0	3.40000	-6.68000
4	0.01900	0.93220	0.75000	m_x,-m_y,0	3.40000	6.68000

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	4.60000
2	0.00000	0.50000	0.00000	m_x,-m_y,-m_z	-4.60000
3	0.00000	0.50000	0.50000	m_x,-m_y,m_z	4.60000
4	0.50000	0.00000	0.50000	m_x,m_y,-m_z	-4.60000

[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	5

Comments:

NPD
Position structure is not provided. Here a model at room temperature retrieved from the ICSD databse is used
Non-standard parent setting Pbnm
FM along a (Pbnm setting)

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep

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

HoFeO3 (#0.990)

HoFeO₃ (#0.990)