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+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 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	-1
4	x,-y,z,+1	m₀₁₀

Label	Atom type	x	y	z	Multiplicity
La1	La	0.5112(4)	0.5527(2)	0.2503(4)	4
O1	O	0.2131(6)	0.2021(6)	0.9598(7)	4
O2	O	0.3039(6)	0.7058(6)	0.9538(7)	4
O3	O	0.4146(4)	0.9839(3)	0.2520(6)	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,m_y,m_z	1.00000	1.70000	1.40000
2	0.50000	0.00000	0.50000	-m_x,m_y,-m_z	-1.00000	1.70000	-1.40000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	0.00000	0.00000	0.00000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	0.00000	0.00000

Atom	x	y	z
1	0.51120	0.55270	0.25030
2	0.98880	0.05270	0.24970
3	0.48880	0.44730	0.74970
4	0.01120	0.94730	0.75030

Atom	x	y	z
1	0.21310	0.20210	0.95980
2	0.28690	0.70210	0.54020
3	0.78690	0.79790	0.04020
4	0.71310	0.29790	0.45980

Atom	x	y	z
1	0.30390	0.70580	0.95380
2	0.19610	0.20580	0.54620
3	0.69610	0.29420	0.04620
4	0.80390	0.79420	0.45380

Atom	x	y	z
1	0.41460	0.98390	0.25200
2	0.08540	0.48390	0.24800
3	0.58540	0.01610	0.74800
4	0.91460	0.51610	0.75200

Reference: S. Lee, M-Ch Lee, Y. Ishikawa, P. Miao, S. Torii, C.J. Won, K. D. Lee, N. Hur, D-Y Cho, T. Kamiyam et al., ? (?) ? ? - ?
Atomic positions from: same reference

Parent space group (paramagnetic phase): P2₁/n (#14) (non-standard)
Transformation to a standard setting: (a,b,-a+c;0,0,0)
    [View matrix form]
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 95 K
Experiment Temperature: 23 K

Lattice parameters of the magnetic unit cell:
5.5684(1) 5.6758(1) 7.8984(2) 90.00 89.905(6) 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P2₁/c (#14.75) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,-a+c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1 (5.1.12)
    [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\|
Co1	Co	0.00000	0.50000	0.00000	2	m_x,m_y,m_z	1.0(2)	1.7(1)	1.4(1)	2.42
Ir1	Ir	0.50000	0.00000	0.00000	2	m_x,m_y,m_z	0.0	0.0	0.0	0.00

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,m_y,m_z	1.00000	1.70000	1.40000
2	0.50000	0.00000	0.50000	-m_x,m_y,-m_z	-1.00000	1.70000	-1.40000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	0.00000	0.00000	0.00000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	0.00000	0.00000

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

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1+	1	1	primary	6

Comments:

NPD
Non-standard P2_1/n setting of the parent space group
FM along b
The magnetic structure within the same phase at several higher temperatures can also be found in the same reference.

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry (2 possible)
1-dim irrep as primary

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

La2CoIrO6 (#0.375)

La₂CoIrO₆ (#0.375)