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	{ 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
Sr1	Sr	0.49400	0.53000	0.24700	4
O1	O	0.27300	0.28900	0.03100	4
O2	O	0.21300	0.77900	0.02900	4
O3	O	0.56600	0.98500	0.25900	4

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	6.60000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	0.00000	-6.60000

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

Atom	x	y	z
1	0.49400	0.53000	0.24700
2	0.00600	0.03000	0.25300
3	0.50600	0.47000	0.75300
4	0.99400	0.97000	0.74700

Atom	x	y	z
1	0.27300	0.28900	0.03100
2	0.22700	0.78900	0.46900
3	0.72700	0.71100	0.96900
4	0.77300	0.21100	0.53100

Atom	x	y	z
1	0.21300	0.77900	0.02900
2	0.28700	0.27900	0.47100
3	0.78700	0.22100	0.97100
4	0.71300	0.72100	0.52900

Atom	x	y	z
1	0.56600	0.98500	0.25900
2	0.93400	0.48500	0.24100
3	0.43400	0.01500	0.74100
4	0.06600	0.51500	0.75900

Reference: D. Harada, M. Wakeshima, Y. Hinatsu, K. Ohoyama and Y. Yamaguchi, Journal of Physics: Condensed Matter (2000) 12 3229-3239.
DOI: 10.1088/0953-8984/12/14/302
Atomic positions from: ICSD #90499

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: 51 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
5.74640 5.74610 8.12430 90.00 90.14 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\|
Tb1	Tb	0.50000	0.00000	0.00000	2	m_x,m_y,m_z	0.0	0.0	6.6	6.60
Ir1	Ir	0.50000	0.00000	0.50000	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	0.50000	0.00000	0.00000	m_x,m_y,m_z	0.00000	0.00000	6.60000
2	0.00000	0.50000	0.50000	-m_x,m_y,-m_z	0.00000	0.00000	-6.60000

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

Comments:

NPD
Non-standard setting P2_1/n of the parent structure

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

Sr2TbIrO6 (#0.475)

Sr₂TbIrO₆ (#0.475)