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+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
5	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
6	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
7	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
8	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	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
F1	F	0.16620	0.06450	0.37970	8
F2	F	0.02240	0.25000	0.91400	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.36790	0.25000	0.06140	m_x,0,m_z	5.20000	2.30000
2	0.86790	0.25000	0.43860	m_x,0,-m_z	5.20000	-2.30000
3	0.63210	0.75000	0.93860	m_x,0,m_z	5.20000	2.30000
4	0.13210	0.75000	0.56140	m_x,0,-m_z	5.20000	-2.30000

Atom	x	y	z
1	0.16620	0.06450	0.37970
2	0.66620	0.43550	0.12030
3	0.83380	0.93550	0.62030
4	0.33380	0.56450	0.87970
5	0.83380	0.56450	0.62030
6	0.33380	0.93550	0.87970
7	0.16620	0.43550	0.37970
8	0.66620	0.06450	0.12030

Atom	x	y	z
1	0.02240	0.25000	0.91400
2	0.52240	0.25000	0.58600
3	0.97760	0.75000	0.08600
4	0.47760	0.75000	0.41400

Reference: P. J. Brown, J. B. Forsyth, P. C. Hansen, M., J., M., Leask, R. C. C. Ward, M. R. Wells, J. Phys.: Condens. Matter (1990) 2 4471 - 4484
DOI: 10.1088/0953-8984/2/19/013
Atomic positions from: Bukvetskii B V and Garashina L S 1977 Koordin. Khimiya 3 791,1024

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

Transition Temperature: 0.53 K
Experiment Temperature: 0.07 K

Lattice parameters of the magnetic unit cell:
6.40400 6.87500 4.37900 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pnm'a' (#62.447) (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: 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\|
Ho	Ho	0.36790	0.25000	0.06140	4	m_x,0,m_z	5.2	0.0	2.3	5.69

Atom	x	y	z	Symmetry constraints on M	M_x	M_z
1	0.36790	0.25000	0.06140	m_x,0,m_z	5.20000	2.30000
2	0.86790	0.25000	0.43860	m_x,0,-m_z	5.20000	-2.30000
3	0.63210	0.75000	0.93860	m_x,0,m_z	5.20000	2.30000
4	0.13210	0.75000	0.56140	m_x,0,-m_z	5.20000	-2.30000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM3+	1	1	primary	2

Comments:

NSD
Position structure from a determination at room temperature by another work
FM along x

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

HoF3 (#0.1034)

HoF₃ (#0.1034)